Vitas-M small molecule compound
3-{8-[bis(4-methylphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzoic acid
Catalog ID
STL445452
SMILES Cc1ccc(cc1)/C(=C\1/C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O)/c1ccc(cc1)C
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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 C31H25NO4 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25NO4/c1-17-6-10-19(11-7-17)25(20-12-8-18(2)9-13-20)26-23-14-15-24(26)28-27(23)29(33)32(30(28)34)22-5-3-4-21(16-22)31(35)36/h3-16,23-24,27-28H,1-2H3,(H,35,36)InChIKey
PBEACXMHKYNMPI-UHFFFAOYSA-NSynonyms
3(8(bis(4methylphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoicacid
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)C6=CC=C(C=C6)C
Cc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)N(C1=O)c1cccc(c1)C(=O)O)c1ccc(cc1)C
InChI=1SC31H25NO4c11761019(11717)25(2012818(2)91320)2623141524(26)2827(23)29(33)32(30(28)34)2253421(1622)31(35)36h31623242728H12H3(H3536)
MFCD17010795
ZINC000101024515
ZINC000245226860
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