Vitas-M small molecule compound
(3Z)-3-(4-chlorobenzylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
Catalog ID
STK774344
SMILES Cc1ccc(cc1)S(=O)(=O)N1C/C(=C\c2ccc(cc2)Cl)/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 C22H16ClN3O6S MW 485.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-10+InChIKey
LFZLFCBTYAENBJ-MHWRWJLKSA-NSynonyms
(3Z)3((4CHLOROPHENYL)METHYLIDENE)1(4METHYLPHENYL)SULFONYL46DINITRO2HINDOLE
(3Z)3(4chlorobenzylidene)1((4methylphenyl)sulfonyl)46dinitro23dihydro1Hindole
CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(C=C3)Cl)C4=C(C=C(C=C42)(N+)(=O)(O))(N+)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)N1CC(=Cc2ccc(cc2)Cl)c2c1cc(cc2(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC22H16ClN3O6Sc1142819(9314)33(3132)241316(10154617(23)7515)2220(24)1118(25(27)28)1221(22)26(29)30h212H13H21H3b1610+
MFCD04060616
ZINC000012461799
ZINC12461799
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