Vitas-M small molecule compound
[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](phenyl)methanone
Catalog ID
STK089313
SMILES COc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccccc1
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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 C29H28N2O3 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O3/c1-33-24-15-11-20(12-16-24)19-23-9-6-10-26-27(23)30-31(29(32)22-7-4-3-5-8-22)28(26)21-13-17-25(34-2)18-14-21/h3-5,7-8,11-19,26,28H,6,9-10H2,1-2H3/b23-19+InChIKey
VNLUUCQIFDRKTL-FCDQGJHFSA-NSynonyms
((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PHENYLMETHANONE
((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)(phenyl)methanone
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5
COc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OC)C(=O)c1ccccc1
InChI=1SC29H28N2O3c13324151120(121624)192396102627(23)3031(29(32)227435822)28(26)21131725(342)181421h357811192628H6910H212H3b2319+
MFCD01627201
STK089313
ZINC000009724530
ZINC000013894375
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