Vitas-M small molecule compound
[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](phenyl)methanone
Catalog ID
STK042740
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)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 C31H32N2O3 MW 480.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N2O3/c1-3-35-26-17-13-22(14-18-26)21-25-11-8-12-28-29(25)32-33(31(34)24-9-6-5-7-10-24)30(28)23-15-19-27(20-16-23)36-4-2/h5-7,9-10,13-21,28,30H,3-4,8,11-12H2,1-2H3/b25-21+InChIKey
IXYYWXNXQWZNTH-NJNXFGOHSA-NSynonyms
((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)PHENYLMETHANONE
((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)(phenyl)methanone
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=CC=C5
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccc1
InChI=1SC31H32N2O3c133526171322(141826)2125118122829(25)3233(31(34)2496571024)30(28)23151927(201623)3642h5791013212830H3481112H212H3b2521+
MFCD01416448
STK042740
ZINC000008431549
ZINC000008431553
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