Vitas-M small molecule compound

3-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}propyl 3,5-dinitrobenzoate

Catalog ID
STK540327
SMILES Cc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C27H22N6O8S MW 590.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N6O8S/c1-16-7-9-20(10-8-16)42(39,40)24-23-26(30-22-6-3-2-5-21(22)29-23)31(25(24)28)11-4-12-41-27(34)17-13-18(32(35)36)15-19(14-17)33(37)38/h2-3,5-10,13-15H,4,11-12,28H2,1H3
InChIKey
LYDXLTFDQVWMFA-UHFFFAOYSA-N
Synonyms

3(2amino3((4methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)propyl35dinitrobenzoate
3(2AMINO3(4METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)PROPYL35DINITROBENZOATE
3(2amino3tosyl1Hpyrrolo(23b)quinoxalin1yl)propyl35dinitrobenzoate
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCCOC(=O)C5=CC(=CC(=C5)(N+)(=O)(O))(N+)(=O)(O))N
Cc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)CCCOC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC27H22N6O8Sc1167920(10816)42(3940)242326(3022632521(22)2923)31(25(24)28)114124127(34)171318(32(35)36)1519(1417)33(37)38h235101315H4111228H21H3
MFCD03285095
ZINC000001863681
ZINC1863681

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Available files

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