Vitas-M small molecule compound

7-{2-[(1R,4aS,8aS)-1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-6-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one

Catalog ID
STL547448
SMILES Clc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c1c2CCC1

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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 C30H32ClNO5 MW 522.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO5/c1-18-25(13-12-22-21-5-4-6-23(21)29(34)37-28(18)22)36-17-26(33)32-16-15-30(35)14-3-2-7-24(30)27(32)19-8-10-20(31)11-9-19/h8-13,24,27,35H,2-7,14-17H2,1H3/t24-,27-,30-/m0/s1
InChIKey
PSDRRRFPZYMZNZ-LFERIPGTSA-N
Synonyms
956942-37-3
16400989
7(2((1~(R)4~(a)~(S)8~(a)~(S))1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethoxy)6methyl23dihydro1~(H)cyclopenta(c)chromen4one
7(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)6methyl23dihydrocyclopenta(c)chromen4(1H)one
7(2((1R4aS8aS)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)6methyl23dihydrocyclopenta(c)chromen4(1H)one
956942373
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)c1c2CCC1
InChI=1SC30H32ClNO5c11825(1312222154623(21)29(34)3728(18)22)361726(33)32161530(35)1432724(30)27(32)1981020(31)11919h813242735H271417H21H3t242730m0s1
MFCD05672357
ZINC000012867041
ZINC12867041

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.