Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylate
Catalog ID
STK274603
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)CCCC2)OCC(=O)c1ccc(c(c1)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 C25H31NO5 MW 425.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5/c1-15-7-8-18(13-16(15)2)22(27)14-31-25(30)17-9-11-19(12-10-17)26-23(28)20-5-3-4-6-21(20)24(26)29/h7-8,13,17,19-21H,3-6,9-12,14H2,1-2H3InChIKey
JIDICQFXFCGUHH-UHFFFAOYSA-NSynonyms
(2(34dimethylphenyl)2oxoethyl)4(13dioxo3a45677ahexahydroisoindol2yl)cyclohexane1carboxylate
2(34dimethylphenyl)2oxoethyl4(13dioxooctahydro2Hisoindol2yl)cyclohexanecarboxylate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2CCC(CC2)N3C(=O)C4CCCCC4C3=O)C
InChI=1SC25H31NO5c1157818(1316(15)2)22(27)143125(30)1791119(121017)2623(28)20534621(20)24(26)29h7813171921H3691214H212H3
MFCD02870839
ZINC000017987018
ZINC000100619281
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