Vitas-M small molecule compound

3-[(2,5-dimethylphenyl)sulfonyl]-N~1~-{(E)-[4-(propan-2-yl)phenyl]methylidene}-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine

Catalog ID
STK990889
SMILES Cc1ccc(c(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1ccc(cc1)C(C)C)C

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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 C28H27N5O2S MW 497.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O2S/c1-17(2)21-13-11-20(12-14-21)16-30-33-27(29)26(36(34,35)24-15-18(3)9-10-19(24)4)25-28(33)32-23-8-6-5-7-22(23)31-25/h5-17H,29H2,1-4H3/b30-16+
InChIKey
IDPSONIGFGSMGT-OKCVXOCRSA-N
Synonyms
848748-30-1
(E)3((25dimethylphenyl)sulfonyl)N1(4isopropylbenzylidene)1Hpyrrolo(23b)quinoxaline12diamine
3((25dimethylphenyl)sulfonyl)N~1~((E)(4(propan2yl)phenyl)methylidene)1Hpyrrolo(23b)quinoxaline12diamine
3((25DIMETHYLPHENYL)SULFONYL)N1((E)(4(PROPAN2YL)PHENYL)METHYLIDENE)1HPYRROLO(23B)QUINOXALINE12DIAMINE
3(25DIMETHYLPHENYL)SULFONYL1((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALIN2AMINE
848748301
CC1=CC(=C(C=C1)C)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)C(C)C)N
Cc1ccc(c(c1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1ccc(cc1)C(C)C)C
InChI=1SC28H27N5O2Sc117(2)21131120(121421)16303327(29)26(36(3435)241518(3)91019(24)4)2528(33)3223865722(23)3125h517H29H214H3b3016+
MFCD04196123
ZINC000002434748
ZINC33370019

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Available files

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