Vitas-M small molecule compound
(3-bromophenyl)[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889177
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1cccc(c1)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/c28-21-5-1-4-20(16-21)27(33)32-26(18-9-13-23(30)14-10-18)24-6-2-3-19(25(24)31-32)15-17-7-11-22(29)12-8-17/h1,4-5,7-16,24,26H,2-3,6H2/b19-15+InChIKey
CTAADWQAMFUGPQ-XDJHFCHBSA-NSynonyms
(3BROMOPHENYL)((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(3bromophenyl)((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)methanone
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=CC=C4)Br)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1cccc(c1)Br
InChI=1SC27H21BrCl2N2Oc282151420(1621)27(33)3226(1891323(30)141018)2462319(25(24)3132)151771122(29)12817h1457162426H236H2b1915+
MFCD01627235
ZINC000097965151
ZINC000097965154
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