Vitas-M small molecule compound
3-({1-[1-(4-chlorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-oxobutan-2-yl}oxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL005193
SMILES CCC(C(=O)N1CCC2(C(C1c1ccc(cc1)Cl)CCCC2)O)Oc1ccc2c(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 C32H36ClNO5 MW 550.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36ClNO5/c1-2-27(38-22-14-15-24-23-7-3-4-8-25(23)31(36)39-28(24)19-22)30(35)34-18-17-32(37)16-6-5-9-26(32)29(34)20-10-12-21(33)13-11-20/h10-15,19,26-27,29,37H,2-9,16-18H2,1H3InChIKey
MLQDZVFHGSAEKR-UHFFFAOYSA-NSynonyms
3((1((1R)1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxobutan2yl)oxy)78910tetrahydro6Hbenzo(c)chromen6one
3((1(1(4chlorophenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)1oxobutan2yl)oxy)78910tetrahydro6Hbenzo(c)chromen6one
3(1(1(4chlorophenyl)4ahydroxy13456788aoctahydroisoquinolin2yl)1oxobutan2yl)oxy78910tetrahydrobenzo(c)chromen6one
CCC(C(=O)N1CCC2(C((C@@H)1c1ccc(cc1)Cl)CCCC2)O)Oc1ccc2c(c1)oc(=O)c1c2CCCC1
CCC(C(=O)N1CCC2(CCCCC2C1C3=CC=C(C=C3)Cl)O)OC4=CC5=C(C=C4)C6=C(CCCC6)C(=O)O5
InChI=1SC32H36ClNO5c1227(382214152423734825(23)31(36)3928(24)1922)30(35)34181732(37)1665926(32)29(34)20101221(33)131120h10151926272937H291618H21H3
MFCD18185380
ZINC000002122847
ZINC000252620767
Check stock
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Check stock on Vitas-MAvailable files
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