Vitas-M small molecule compound
[(7Z)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3,4,5-trimethoxyphenyl)methanone
Catalog ID
STL286798
SMILES COc1cc(cc(c1OC)OC)C(=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 C30H30N2O4 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N2O4/c1-34-25-18-23(19-26(35-2)29(25)36-3)30(33)32-28(21-13-8-5-9-14-21)24-16-10-15-22(27(24)31-32)17-20-11-6-4-7-12-20/h4-9,11-14,17-19,24,28H,10,15-16H2,1-3H3/b22-17-InChIKey
GPPODQAKCNTBQC-XLNRJJMWSA-NSynonyms
((7Z)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)(345trimethoxyphenyl)methanone
((7Z)7benzylidene3phenyl3a456tetrahydro3Hindazol2yl)(345trimethoxyphenyl)methanone
COC1=CC(=CC(=C1OC)OC)C(=O)N2C(C3CCCC(=CC4=CC=CC=C4)C3=N2)C5=CC=CC=C5
COc1cc(cc(c1OC)OC)C(=O)N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1
InChI=1SC30H30N2O4c134251823(1926(352)29(25)363)30(33)3228(21138591421)2416101522(27(24)3132)1720116471220h49111417192428H101516H213H3b2217
MFCD02703925
ZINC000034798311
ZINC000095481736
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