Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(4-chlorophenyl)prop-2-en-1-one
Catalog ID
STK048075
SMILES Clc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)Cl)C(=O)/C=C/c1ccc(cc1)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 C29H23Cl3N2O MW 521.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23Cl3N2O/c30-23-11-4-19(5-12-23)8-17-27(35)34-29(21-9-15-25(32)16-10-21)26-3-1-2-22(28(26)33-34)18-20-6-13-24(31)14-7-20/h4-18,26,29H,1-3H2/b17-8+,22-18+InChIKey
BQMKJNXJMGWBRT-PCUVHJKWSA-NSynonyms
(2E)1((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)3(4chlorophenyl)prop2en1one
(E)3(4CHLOROPHENYL)1((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PROP2EN1ONE
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)Cl)C(=O)C=Cc1ccc(cc1)Cl
InChI=1SC29H23Cl3N2Oc302311419(51223)81727(35)3429(2191525(32)161021)2631222(28(26)3334)182061324(31)14720h4182629H13H2b178+2218+
MFCD01627312
STK048075
ZINC000009434475
ZINC000013943315
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