Vitas-M small molecule compound
(3Z)-3-[2,4-bis(benzyloxy)benzylidene]-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK685779
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2ccc(cc2OCc2ccccc2)OCc2ccccc2)/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 C36H29N3O8S MW 663.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H29N3O8S/c1-25-12-16-32(17-13-25)48(44,45)37-22-29(36-33(37)19-30(38(40)41)20-34(36)39(42)43)18-28-14-15-31(46-23-26-8-4-2-5-9-26)21-35(28)47-24-27-10-6-3-7-11-27/h2-21H,22-24H2,1H3/b29-18+InChIKey
OSSSFJOBSVOIER-RDRPBHBLSA-NSynonyms
(3Z)3((24BIS(PHENYLMETHOXY)PHENYL)METHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
(3Z)3(24bis(benzyloxy)benzylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=C(C=C(C=C62)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2ccc(cc2OCc2ccccc2)OCc2ccccc2)c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC36H29N3O8Sc125121632(171325)48(4445)372229(3633(37)1930(38(40)41)2034(36)39(42)43)1828141531(4623268425926)2135(28)472427106371127h221H2224H21H3b2918+
MFCD06013332
ZINC000150386397
ZINC150386397
Check stock
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Check stock on Vitas-MAvailable files
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