Vitas-M small molecule compound
7-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-3,4,8-trimethyl-2H-chromen-2-one
Catalog ID
STL565900
SMILES Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-17-18(2)28(33)36-27-19(3)24(12-11-22(17)27)35-16-25(32)31-15-14-29(34)13-5-4-6-23(29)26(31)20-7-9-21(30)10-8-20/h7-12,23,26,34H,4-6,13-16H2,1-3H3InChIKey
WIJOVAFFFZTSER-UHFFFAOYSA-NSynonyms
3362842
7(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)348trimethyl2Hchromen2one
7(2(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)348trimethylchromen2one
7(2(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)348trimethyl2Hchromen2one
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c(c2C)C
InChI=1SC29H32ClNO5c11718(2)28(33)362719(3)24(121122(17)27)351625(32)31151429(34)1354623(29)26(31)207921(30)10820h712232634H461316H213H3
MFCD32651758
ZINC000002109696
ZINC000504246646
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