Vitas-M small molecule compound
9-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxopropan-2-yl}oxy)-7-methyl-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
Catalog ID
STL542018
SMILES Cc1cc(OC(C(=O)N2CCC3(C(C2c2ccc(cc2)Cl)CCCC3)O)C)c2c(c1)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 C31H34ClNO5 MW 536.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO5/c1-18-16-25(27-22-6-5-7-23(22)30(35)38-26(27)17-18)37-19(2)29(34)33-15-14-31(36)13-4-3-8-24(31)28(33)20-9-11-21(32)12-10-20/h9-12,16-17,19,24,28,36H,3-8,13-15H2,1-2H3InChIKey
DJKQPPZBBFTZPU-UHFFFAOYSA-NSynonyms
3724246
9((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)7methyl23dihydrocyclopenta(c)chromen4(1H)one
9((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxopropan2yl)oxy)7methyl23dihydrocyclopenta(c)chromen4(1H)one
9(1(1(4chlorophenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)1oxopropan2yl)oxy7methyl23dihydro1~(H)cyclopenta(c)chromen4one
Cc1cc(OC(C(=O)N2CCC3(C((C@@H)2c2ccc(cc2)Cl)CCCC3)O)C)c2c(c1)oc(=O)c1c2CCC1
InChI=1SC31H34ClNO5c1181625(272265723(22)30(35)3826(27)1718)3719(2)29(34)33151431(36)1343824(31)28(33)2091121(32)121020h912161719242836H381315H212H3
MFCD31755493
ZINC000002111346
ZINC000504815390
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