Vitas-M small molecule compound
1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-3-(pyridin-3-ylmethyl)-1H-indole
Catalog ID
STK774340
SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])Cc1cccnc1
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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/h2-8,10-13H,9H2,1H3InChIKey
WLXICSFXYUSEFJ-UHFFFAOYSA-NSynonyms
1((4methylphenyl)sulfonyl)46dinitro3(pyridin3ylmethyl)1Hindole
1(4METHYLPHENYL)SULFONYL46DINITRO3(PYRIDIN3YLMETHYL)INDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C(C=C(C=C32)(N+)(=O)(O))(N+)(=O)(O))CC4=CN=CC=C4
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O))Cc1cccnc1
InChI=1SC21H16N4O6Sc1144618(7514)32(3031)231316(915328221215)2119(23)1017(24(26)27)1120(21)25(28)29h281013H9H21H3
MFCD04060611
ZINC000006303524
ZINC06303524
ZINC6303524
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