Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate
Catalog ID
STK268653
SMILES CC(C(N1C(=O)C2C(C1=O)C1CC2C=C1)C(=O)OCC(=O)c1ccc(cc1)C)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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-12(2)20(23(28)29-11-17(25)14-6-4-13(3)5-7-14)24-21(26)18-15-8-9-16(10-15)19(18)22(24)27/h4-9,12,15-16,18-20H,10-11H2,1-3H3InChIKey
WDTQHPVAXAGVJS-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)3methylbutanoate
CC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC23H25NO5c112(2)20(23(28)291117(25)146413(3)5714)2421(26)18158916(1015)19(18)22(24)27h491215161820H1011H213H3
MFCD01174836
ZINC000100557654
ZINC000239235550
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