Vitas-M small molecule compound
2-{[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoic acid
Catalog ID
STK004312
SMILES O=C(c1ccccc1C(=O)O)N1N=C2C(C1c1ccccc1)CCC/C/2=C\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 C28H24N2O3 MW 436.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O3/c31-27(22-15-7-8-16-23(22)28(32)33)30-26(20-12-5-2-6-13-20)24-17-9-14-21(25(24)29-30)18-19-10-3-1-4-11-19/h1-8,10-13,15-16,18,24,26H,9,14,17H2,(H,32,33)/b21-18+InChIKey
WHDCWXDYGBQFQI-DYTRJAOYSA-NSynonyms
2(((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)carbonyl)benzoicacid
2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZOICACID
C1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C4=CC=CC=C4C(=O)O)C5=CC=CC=C5
InChI=1SC28H24N2O3c3127(2215781623(22)28(32)33)3026(20125261320)241791421(25(24)2930)1819103141119h1810131516182426H91417H2(H3233)b2118+
MFCD01627279
O=C(c1ccccc1C(=O)O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
STK004312
ZINC000012285219
ZINC000012285222
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