Vitas-M small molecule compound

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

Catalog ID
STK920950
SMILES Nc1n(/N=C/c2cccc(c2)[N+](=O)[O-])c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1

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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 C23H16N6O4S MW 472.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16N6O4S/c24-22-21(34(32,33)17-9-2-1-3-10-17)20-23(27-19-12-5-4-11-18(19)26-20)28(22)25-14-15-7-6-8-16(13-15)29(30)31/h1-14H,24H2/b25-14+
InChIKey
HGDHAEIFORGIMF-AFUMVMLFSA-N
Synonyms
573939-50-1
(E)N1(3nitrobenzylidene)3(phenylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
3(BENZENESULFONYL)1((E)(3NITROPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALIN2AMINE
573939501
C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC(=CC=C5)(N+)(=O)(O))N
InChI=1SC23H16N6O4Sc242221(34(3233)1792131017)2023(271912541118(19)2620)28(22)25141576816(1315)29(30)31h114H24H2b2514+
MFCD04020430
N~1~((E)(3nitrophenyl)methylidene)3(phenylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
N1((E)(3NITROPHENYL)METHYLIDENE)3(PHENYLSULFONYL)1HPYRROLO(23B)QUINOXALINE12DIAMINE
Nc1n(N=Cc2cccc(c2)(N+)(=O)(O))c2c(c1S(=O)(=O)c1ccccc1)nc1c(n2)cccc1
ZINC000001838081
ZINC4480425

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Available files

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