Vitas-M small molecule compound
7-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-8-methyl-4-propyl-2H-chromen-2-one
Catalog ID
STL537674
SMILES CCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N1CCC2(C(C1c1ccc(cc1)Cl)CCCC2)O)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 C31H36ClNO5 MW 538.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36ClNO5/c1-4-7-22-18-27(34)38-29-19(2)26(14-13-24(22)29)37-20(3)30(35)33-17-16-31(36)15-6-5-8-25(31)28(33)21-9-11-23(32)12-10-21/h9-14,18,20,25,28,36H,4-8,15-17H2,1-3H3InChIKey
QFCFOMVNGPMSCK-UHFFFAOYSA-NSynonyms
4615655
7((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)8methyl4propyl2Hchromen2one
7((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)8methyl4propyl2Hchromen2one
7(1(1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy8methyl4propylchromen2one
CCCc1cc(=O)oc2c1ccc(c2C)OC(C(=O)N1CCC2(C((C@@H)1c1ccc(cc1)Cl)CCCC2)O)C
InChI=1SC31H36ClNO5c147221827(34)382919(2)26(141324(22)29)3720(3)30(35)33171631(36)1565825(31)28(33)2191123(32)121021h9141820252836H481517H213H3
MFCD31754507
ZINC000002110629
ZINC000504694934
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