Vitas-M small molecule compound

7-{2-[(1R,4aS,8aS)-1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-3,4-dimethyl-2H-chromen-2-one

Catalog ID
STL548723
SMILES Clc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)COc1ccc2c(c1)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 C28H30ClNO5 MW 496.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30ClNO5/c1-17-18(2)27(32)35-24-15-21(10-11-22(17)24)34-16-25(31)30-14-13-28(33)12-4-3-5-23(28)26(30)19-6-8-20(29)9-7-19/h6-11,15,23,26,33H,3-5,12-14,16H2,1-2H3/t23-,26-,28-/m0/s1
InChIKey
RQAOWPXMYCUDAF-WSHBGFIESA-N
Synonyms

40872422
7(2((1~(R)4~(a)~(S)8~(a)~(S))1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethoxy)34dimethylchromen2one
7(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)34dimethyl2Hchromen2one
7(2((1R4aS8aS)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)34dimethyl2Hchromen2one
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)c(c2C)C
InChI=1SC28H30ClNO5c11718(2)27(32)35241521(101122(17)24)341625(31)30141328(33)1243523(28)26(30)196820(29)9719h61115232633H35121416H212H3t232628m0s1
ZINC000008918061
ZINC8918061

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Available files

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