CAS No.: 4936-47-4 — Nifuratel (硝呋太尔)

1. Primary Information

English name:	Nifuratel
CAS No.:	4936-47-4
Molecular formula:	C₁₀H₁₁N₃O₅S
Molecular weight:	285.28 g/mol
SMILES:	CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]
Structural class:
Other identifiers:	Inimur Macmiror Methylmercadone Metilmercadon Nifuratel

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	240	-20℃	in stock	-
Kehua Intelligence	1g	98%	140	-20℃	in stock	-
Kehua Intelligence	5g	98%	448	-20℃	in stock	-
Kehua Intelligence	25g	98%	1280	-20℃	in stock	-
Kehua Intelligence	10mg	≥99%(HPLC)	256	-20℃	in stock	-
Kehua Intelligence	50mg	≥99%(HPLC)	512	-20℃	in stock	-
Kehua Intelligence	250mg	≥99%(HPLC)	960	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 1 0 0 0 0 0999 V2000 5.9787 -1.0082 -0.0347 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 0.7897 0.9202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 2.6809 0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 -0.5210 0.2725 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 -0.5656 -0.2309 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.0322 -1.8973 0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 0.5635 0.2036 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 0.9217 -0.2342 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 -0.8799 0.1674 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3991 -0.6307 0.8167 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8991 -0.7536 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -1.1803 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.4698 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 0.1378 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 0.3581 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5961 -1.7351 -1.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5634 1.3251 -0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0996 -0.1033 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9472 1.0284 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 -1.1137 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6138 -1.5119 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 -0.9659 1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9707 -0.6315 -1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 -2.2394 -0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4703 -0.7375 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6892 -1.7199 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -1.1594 -2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2642 -2.7726 -1.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 2.1466 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7311 1.5761 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 13 2 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 19 30 1 0 0 0 0 M CHG 2 5 -1 9 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

4.2 InChI

InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+

4.3 InChIKey

SRQKTCXJCCHINN-NYYWCZLTSA-N

4.4 Canonical SMILES

CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]

4.5 Isomeric SMILES

CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)