Vitas-M small molecule compound

3-[(4-methylphenyl)sulfonyl]-N~1~-[(E)-(3-nitrophenyl)methylidene]-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine

Catalog ID
STK920893
SMILES Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C24H18N6O4S MW 486.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N6O4S/c1-15-9-11-18(12-10-15)35(33,34)22-21-24(28-20-8-3-2-7-19(20)27-21)29(23(22)25)26-14-16-5-4-6-17(13-16)30(31)32/h2-14H,25H2,1H3/b26-14+
InChIKey
GTUTXCHBFIHQFB-VULFUBBASA-N
Synonyms
585557-09-1
(E)N1(3nitrobenzylidene)3tosyl1Hpyrrolo(23b)quinoxaline12diamine
3((4methylphenyl)sulfonyl)N~1~((E)(3nitrophenyl)methylidene)1Hpyrrolo(23b)quinoxaline12diamine
3((4METHYLPHENYL)SULFONYL)N1((E)(3NITROPHENYL)METHYLIDENE)1HPYRROLO(23B)QUINOXALINE12DIAMINE
3(4METHYLPHENYL)SULFONYL1((E)(3NITROPHENYL)METHYLIDENEAMINO)PYRROLO(32B)QUINOXALIN2AMINE
585557091
CC1=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
Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)N=Cc1cccc(c1)(N+)(=O)(O)
InChI=1SC24H18N6O4Sc11591118(121015)35(3334)222124(2820832719(20)2721)29(23(22)25)26141654617(1316)30(31)32h214H25H21H3b2614+
MFCD04028305
ZINC000002383751
ZINC33364375

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Available files

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