Vitas-M small molecule compound

3-benzyl-5-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-4,7-dimethyl-2H-chromen-2-one

Catalog ID
STL528896
SMILES Clc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)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 C36H38ClNO5 MW 600.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38ClNO5/c1-22-19-30(32-23(2)28(35(40)43-31(32)20-22)21-25-9-5-4-6-10-25)42-24(3)34(39)38-18-17-36(41)16-8-7-11-29(36)33(38)26-12-14-27(37)15-13-26/h4-6,9-10,12-15,19-20,24,29,33,41H,7-8,11,16-18,21H2,1-3H3
InChIKey
FATPWFRRUDRUAS-UHFFFAOYSA-N
Synonyms

3837653
3benzyl5((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)47dimethyl2Hchromen2one
3benzyl5((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)47dimethyl2Hchromen2one
3benzyl5(1(1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy47dimethylchromen2one
Clc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C(Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C
InChI=1SC36H38ClNO5c1221930(3223(2)28(35(40)4331(32)2022)212595461025)4224(3)34(39)38181736(41)16871129(36)33(38)26121427(37)151326h469101215192024293341H7811161821H213H3
MFCD05737419
ZINC000103541237
ZINC000253487107

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Available files

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