Vitas-M small molecule compound
(3Z)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-(pyridin-3-ylmethylidene)-2,3-dihydro-1H-indole
Catalog ID
STK775684
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2cccnc2)/c2c1cc(cc2[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 C21H16N4O6S MW 452.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O6S/c1-14-4-6-18(7-5-14)32(30,31)23-13-16(9-15-3-2-8-22-12-15)21-19(23)10-17(24(26)27)11-20(21)25(28)29/h2-12H,13H2,1H3/b16-9+InChIKey
SMCVZTQPEVKVOH-CXUHLZMHSA-NSynonyms
(3Z)1((4methylphenyl)sulfonyl)46dinitro3(pyridin3ylmethylidene)23dihydro1Hindole
(3Z)1(4METHYLPHENYL)SULFONYL46DINITRO3(PYRIDIN3YLMETHYLIDENE)2HINDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CN=CC=C3)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2cccnc2)c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H16N4O6Sc1144618(7514)32(3031)231316(915328221215)2119(23)1017(24(26)27)1120(21)25(28)29h212H13H21H3b169+
MFCD05257679
ZINC000012461814
ZINC12461814
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