Vitas-M small molecule compound

N~1~-[(E)-(3-nitrophenyl)methylidene]-3-(thiophen-2-ylsulfonyl)-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine

Catalog ID
STK990913
SMILES [O-][N+](=O)c1cccc(c1)/C=N/n1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1cccs1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H14N6O4S2 MW 478.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N6O4S2/c22-20-19(33(30,31)17-9-4-10-32-17)18-21(25-16-8-2-1-7-15(16)24-18)26(20)23-12-13-5-3-6-14(11-13)27(28)29/h1-12H,22H2/b23-12+
InChIKey
UJMVYBPMWKDEMP-FSJBWODESA-N
Synonyms
714288-97-8
(E)N1(3nitrobenzylidene)3(thiophen2ylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
(O)(N+)(=O)c1cccc(c1)C=Nn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1cccs1
1((E)(3NITROPHENYL)METHYLIDENEAMINO)3THIOPHEN2YLSULFONYLPYRROLO(32B)QUINOXALIN2AMINE
714288978
C1=CC=C2C(=C1)N=C3C(=C(N(C3=N2)N=CC4=CC(=CC=C4)(N+)(=O)(O))N)S(=O)(=O)C5=CC=CS5
InChI=1SC21H14N6O4S2c222019(33(3031)1794103217)1821(2516821715(16)2418)26(20)23121353614(1113)27(28)29h112H22H2b2312+
MFCD04186552
N~1~((E)(3nitrophenyl)methylidene)3(thiophen2ylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
N1((E)(3NITROPHENYL)METHYLIDENE)3(THIOPHEN2YLSULFONYL)1HPYRROLO(23B)QUINOXALINE12DIAMINE
ZINC000001875831
ZINC33345701

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.