Vitas-M small molecule compound
3-{2-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-oxoethoxy}-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL565993
SMILES Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1
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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/c31-20-10-8-19(9-11-20)28-25-7-3-4-14-30(25,35)15-16-32(28)27(33)18-36-21-12-13-23-22-5-1-2-6-24(22)29(34)37-26(23)17-21/h8-13,17,25,28,35H,1-7,14-16,18H2InChIKey
VDXMGHJUADDQAF-UHFFFAOYSA-NSynonyms
3(2((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)78910tetrahydro6Hbenzo(c)chromen6one
3(2(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)78910tetrahydrobenzo(c)chromen6one
3(2(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethoxy)78910tetrahydro6Hbenzo(c)chromen6one
4529148
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1
InChI=1SC30H32ClNO5c312010819(91120)28257341430(2535)151632(28)27(33)18362112132322512624(22)29(34)3726(23)1721h81317252835H17141618H2
MFCD32651797
ZINC000002111668
ZINC000043742799
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