Vitas-M small molecule compound
(3Z)-3-(4-ethoxybenzylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK775685
SMILES CCOc1ccc(cc1)/C=C/1\CN(c2c1c(cc(c2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)c1ccc(cc1)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 C24H21N3O7S MW 495.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O7S/c1-3-34-20-8-6-17(7-9-20)12-18-15-25(35(32,33)21-10-4-16(2)5-11-21)22-13-19(26(28)29)14-23(24(18)22)27(30)31/h4-14H,3,15H2,1-2H3/b18-12+InChIKey
NLEFDMBJIZNHFV-LDADJPATSA-NSynonyms
(3Z)3((4ETHOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
(3Z)3(4ethoxybenzylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
CCOC1=CC=C(C=C1)C=C2CN(C3=CC(=CC(=C23)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)C4=CC=C(C=C4)C
CCOc1ccc(cc1)C=C1CN(c2c1c(cc(c2)(N+)(=O)(O))(N+)(=O)(O))S(=O)(=O)c1ccc(cc1)C
InChI=1SC24H21N3O7Sc1334208617(7920)12181525(35(3233)2110416(2)51121)221319(26(28)29)1423(24(18)22)27(30)31h414H315H212H3b1812+
MFCD05257680
ZINC000012411668
ZINC12411668
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