Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3-chlorophenyl)methanone
Catalog ID
STK016645
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1cccc(c1)Cl
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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 C27H21Cl3N2O MW 495.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21Cl3N2O/c28-21-11-7-17(8-12-21)15-19-3-2-6-24-25(19)31-32(26(24)18-9-13-22(29)14-10-18)27(33)20-4-1-5-23(30)16-20/h1,4-5,7-16,24,26H,2-3,6H2/b19-15+InChIKey
AEYGMGPKRPEQOL-XDJHFCHBSA-NSynonyms
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(3chlorophenyl)methanone
(3CHLOROPHENYL)((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1cccc(c1)Cl
InChI=1SC27H21Cl3N2Oc282111717(81221)15193262425(19)3132(26(24)1891322(29)141018)27(33)2041523(30)1620h1457162426H236H2b1915+
MFCD01627211
STK016645
ZINC000008431649
ZINC000008431653
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