Vitas-M small molecule compound
2-(4-methoxyphenyl)-2-oxoethyl 2,6-bis(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)hexanoate
Catalog ID
STK268798
SMILES COc1ccc(cc1)C(=O)COC(=O)C(N1C(=O)C2C(C1=O)C1CC2C=C1)CCCCN1C(=O)C2C(C1=O)C1CC2C=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 C33H34N2O8 MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34N2O8/c1-42-22-11-9-17(10-12-22)24(36)16-43-33(41)23(35-31(39)27-20-7-8-21(15-20)28(27)32(35)40)4-2-3-13-34-29(37)25-18-5-6-19(14-18)26(25)30(34)38/h5-12,18-21,23,25-28H,2-4,13-16H2,1H3InChIKey
LQGWKUTVXTZSLQ-UHFFFAOYSA-NSynonyms
2(4methoxyphenyl)2oxoethyl26bis(13dioxo133a477ahexahydro2H47methanoisoindol2yl)hexanoate
COC1=CC=C(C=C1)C(=O)COC(=O)C(CCCCN2C(=O)C3C4CC(C3C2=O)C=C4)N5C(=O)C6C7CC(C6C5=O)C=C7
InChI=1SC33H34N2O8c1422211917(101222)24(36)164333(41)23(3531(39)27207821(1520)28(27)32(35)40)423133429(37)25185619(1418)26(25)30(34)38h5121821232528H241316H21H3
MFCD01362216
ZINC000100560974
ZINC000239339062
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