Vitas-M small molecule compound
3-[5,6-bis(4-methylphenyl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Catalog ID
STK266147
SMILES Cc1ccc(cc1)C1=C(c2ccc(cc2)C)C2(C(=O)C1(c1ccccc1)C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)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 C42H31NO5 MW 629.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H31NO5/c1-25-16-20-27(21-17-25)33-34(28-22-18-26(2)19-23-28)42(31-13-7-4-8-14-31)36-35(41(33,40(42)48)30-11-5-3-6-12-30)37(44)43(38(36)45)32-15-9-10-29(24-32)39(46)47/h3-24,35-36H,1-2H3,(H,46,47)InChIKey
QONLKZZMXMEULA-UHFFFAOYSA-NSynonyms
3(56bis(4methylphenyl)138trioxo47diphenyl133a477ahexahydro2H47methanoisoindol2yl)benzoicacid
CC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O)C7=CC=CC=C7)C8=CC=C(C=C8)C
InChI=1SC42H31NO5c125162027(211725)3334(28221826(2)192328)42(31137481431)3635(41(3340(42)48)30115361230)37(44)43(38(36)45)321591029(2432)39(46)47h3243536H12H3(H4647)
MFCD01802200
ZINC000100081824
ZINC000229985672
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