Vitas-M small molecule compound
2-(3,4-dimethylphenyl)-2-oxoethyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK268984
SMILES O=C1N(c2ccc(cc2)C(=O)OCC(=O)c2ccc(c(c2)C)C)C(=O)C2C1C1CCC2C1
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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 C26H25NO5 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO5/c1-14-3-4-17(11-15(14)2)21(28)13-32-26(31)16-7-9-20(10-8-16)27-24(29)22-18-5-6-19(12-18)23(22)25(27)30/h3-4,7-11,18-19,22-23H,5-6,12-13H2,1-2H3InChIKey
HQIUIXICPTTWCQ-UHFFFAOYSA-NSynonyms
2(34dimethylphenyl)2oxoethyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CCC(C5)C4C3=O)C
InChI=1SC26H25NO5c1143417(1115(14)2)21(28)133226(31)167920(10816)2724(29)22185619(1218)23(22)25(27)30h3471118192223H561213H212H3
MFCD01577485
ZINC000101229940
ZINC000239309531
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Check stock on Vitas-MAvailable files
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