Vitas-M small molecule compound
2-{[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoic acid
Catalog ID
STK020168
SMILES CCOc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccc1C(=O)O
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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 C32H32N2O5 MW 524.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N2O5/c1-3-38-24-16-12-21(13-17-24)20-23-8-7-11-28-29(23)33-34(30(28)22-14-18-25(19-15-22)39-4-2)31(35)26-9-5-6-10-27(26)32(36)37/h5-6,9-10,12-20,28,30H,3-4,7-8,11H2,1-2H3,(H,36,37)/b23-20+InChIKey
GWMLTJODPWXHHA-BSYVCWPDSA-NSynonyms
2(((7E)7(4ethoxybenzylidene)3(4ethoxyphenyl)33a4567hexahydro2Hindazol2yl)carbonyl)benzoicacid
2((7E)3(4ETHOXYPHENYL)7((4ETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZOICACID
CCOC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OCC)C(=O)C5=CC=CC=C5C(=O)O
CCOc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)OCC)C(=O)c1ccccc1C(=O)O
InChI=1SC32H32N2O5c133824161221(131724)202387112829(23)3334(30(28)22141825(191522)3942)31(35)269561027(26)32(36)37h5691012202830H347811H212H3(H3637)b2320+
MFCD01627361
STK020168
ZINC000013940321
ZINC000013940324
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