Vitas-M small molecule compound
(3Z)-3-benzylidene-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK765119
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2ccccc2)/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 C22H17N3O6S MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O6S/c1-15-7-9-19(10-8-15)32(30,31)23-14-17(11-16-5-3-2-4-6-16)22-20(23)12-18(24(26)27)13-21(22)25(28)29/h2-13H,14H2,1H3/b17-11+InChIKey
OMXOOXKWYGZUDI-GZTJUZNOSA-NSynonyms
(3Z)3benzylidene1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
(3Z)3BENZYLIDENE1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=CC=C3)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2ccccc2)c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H17N3O6Sc1157919(10815)32(3031)231417(11165324616)2220(23)1218(24(26)27)1321(22)25(28)29h213H14H21H3b1711+
MFCD02933453
ZINC000008854887
ZINC08854887
ZINC8854887
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