Vitas-M small molecule compound
(4-bromophenyl)[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889167
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)c1ccc(cc1)Br
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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 C27H21BrCl2N2O MW 540.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21BrCl2N2O/c28-21-10-6-19(7-11-21)27(33)32-26(18-8-14-23(30)15-9-18)24-3-1-2-20(25(24)31-32)16-17-4-12-22(29)13-5-17/h4-16,24,26H,1-3H2/b20-16+InChIKey
HJHLKNNMQSSGSH-CAPFRKAQSA-NSynonyms
(4BROMOPHENYL)((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(4bromophenyl)((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)c1ccc(cc1)Br
InChI=1SC27H21BrCl2N2Oc282110619(71121)27(33)3226(1881423(30)15918)2431220(25(24)3132)161741222(29)13517h4162426H13H2b2016+
MFCD01627226
ZINC000096022784
ZINC000097965130
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