Vitas-M small molecule compound
7-[(3,4-dichlorobenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL461630
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(c(c1)Cl)Cl
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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 C29H31Cl2NO5 MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31Cl2NO5/c1-17-21-7-9-25(36-16-19-6-8-23(30)24(31)13-19)18(2)27(21)37-28(34)22(17)14-26(33)32-12-11-29(35)10-4-3-5-20(29)15-32/h6-9,13,20,35H,3-5,10-12,14-16H2,1-2H3InChIKey
VOYCGAMYOSUCTJ-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7((34dichlorophenyl)methoxy)48dimethylchromen2one
7((34dichlorobenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC(=C(C=C3)Cl)Cl)CC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC29H31Cl2NO5c117217925(3616196823(30)24(31)1319)18(2)27(21)3728(34)22(17)1426(33)32121129(35)1043520(29)1532h69132035H3510121416H212H3
MFCD10041032
ZINC000002112068
ZINC000011867350
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