Vitas-M small molecule compound
4-butyl-7-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-2H-chromen-2-one
Catalog ID
STL538099
SMILES CCCCc1cc(=O)oc2c1ccc(c2)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/c1-3-4-7-22-18-28(34)38-27-19-24(13-14-25(22)27)37-20(2)30(35)33-17-16-31(36)15-6-5-8-26(31)29(33)21-9-11-23(32)12-10-21/h9-14,18-20,26,29,36H,3-8,15-17H2,1-2H3InChIKey
FQWBEZREHCUGGI-UHFFFAOYSA-NSynonyms
3741279
4butyl7((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)2Hchromen2one
4butyl7((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)2Hchromen2one
4butyl7(1(1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxychromen2one
CCCCc1cc(=O)oc2c1ccc(c2)OC(C(=O)N1CCC2(C((C@@H)1c1ccc(cc1)Cl)CCCC2)O)C
InChI=1SC31H36ClNO5c1347221828(34)38271924(131425(22)27)3720(2)30(35)33171631(36)1565826(31)29(33)2191123(32)121021h9141820262936H381517H212H3
MFCD31754521
ZINC000002158437
ZINC000504664399
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