Vitas-M small molecule compound
(4-chlorophenyl)[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889157
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)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 C29H27ClN2O3 MW 487.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN2O3/c1-34-24-14-6-19(7-15-24)18-22-4-3-5-26-27(22)31-32(29(33)21-8-12-23(30)13-9-21)28(26)20-10-16-25(35-2)17-11-20/h6-18,26,28H,3-5H2,1-2H3/b22-18+InChIKey
NNFQKXFZWNMLJS-RELWKKBWSA-NSynonyms
(4CHLOROPHENYL)((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(4chlorophenyl)((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)Cl
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccc(cc1)Cl
InChI=1SC29H27ClN2O3c1342414619(71524)18224352627(22)3132(29(33)2181223(30)13921)28(26)20101625(352)171120h6182628H35H212H3b2218+
MFCD01627220
ZINC000021487079
ZINC000021487082
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