Vitas-M small molecule compound
ethyl 4-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STL384060
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1/C(=C(/c3ccccc3)\c3ccccc3)/C2C=C1
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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/c1-2-36-31(35)21-13-15-22(16-14-21)32-29(33)27-23-17-18-24(28(27)30(32)34)26(23)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-18,23-24,27-28H,2H2,1H3InChIKey
MJRCEDLKCFAVGE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
CCOC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
ethyl4(8(diphenylmethylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
InChI=1SC31H25NO4c123631(35)21131522(161421)3229(33)2723171824(28(27)30(32)34)26(23)25(1995361019)20117481220h31823242728H2H21H3
MFCD02253367
ZINC000101359031
ZINC000101359038
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