Vitas-M small molecule compound
3-benzyl-7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL565413
SMILES Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
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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 C35H36ClNO5 MW 586.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H36ClNO5/c1-22-27-15-16-30(23(2)33(27)42-34(39)28(22)20-24-8-4-3-5-9-24)41-21-31(38)37-19-18-35(40)17-7-6-10-29(35)32(37)25-11-13-26(36)14-12-25/h3-5,8-9,11-16,29,32,40H,6-7,10,17-21H2,1-2H3InChIKey
MESXQYPVOTYEMT-UHFFFAOYSA-NSynonyms
1005135-76-11005135761
3benzyl7(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)48dimethyl2Hchromen2one
3benzyl7(2(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)48dimethylchromen2one
3benzyl7(2(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)48dimethyl2Hchromen2one
4967159
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1
InChI=1SC35H36ClNO5c12227151630(23(2)33(27)4234(39)28(22)20248435924)412131(38)37191835(40)17761029(35)32(37)25111326(36)141225h35891116293240H67101721H212H3
MFCD05731534
ZINC000070701289
ZINC000253387643
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