Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STK889267
SMILES COc1ccc(cc1)/C=C/C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CC(C/C/2=C\c1ccc(cc1)Cl)C
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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 C31H28Cl2N2O2 MW 531.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28Cl2N2O2/c1-20-17-24(19-22-3-10-25(32)11-4-22)30-28(18-20)31(23-8-12-26(33)13-9-23)35(34-30)29(36)16-7-21-5-14-27(37-2)15-6-21/h3-16,19-20,28,31H,17-18H2,1-2H3/b16-7+,24-19+InChIKey
ILHWDNMVYIHDSM-LRXDHIBWSA-NSynonyms
(2E)1((7E)7(4chlorobenzylidene)3(4chlorophenyl)5methyl33a4567hexahydro2Hindazol2yl)3(4methoxyphenyl)prop2en1one
(E)1((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)5METHYL3A456TETRAHYDRO3HINDAZOL2YL)3(4METHOXYPHENYL)PROP2EN1ONE
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C=CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl
COc1ccc(cc1)C=CC(=O)N1N=C2C(C1c1ccc(cc1)Cl)CC(CC2=Cc1ccc(cc1)Cl)C
InChI=1SC31H28Cl2N2O2c1201724(192231025(32)11422)3028(1820)31(2381226(33)13923)35(3430)29(36)1672151427(372)15621h31619202831H1718H212H3b167+2419+
MFCD02708931
ZINC000097965245
ZINC000245242184
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