Vitas-M small molecule compound
1-[2-(4a-hydroxy-1-phenyloctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Catalog ID
STL003798
SMILES Cc1cc(OCC(=O)N2CCC3(C(C2c2ccccc2)CCCC3)O)c2c(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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-20-17-25(28-22-11-5-6-12-23(22)30(34)37-26(28)18-20)36-19-27(33)32-16-15-31(35)14-8-7-13-24(31)29(32)21-9-3-2-4-10-21/h2-4,9-10,17-18,24,29,35H,5-8,11-16,19H2,1H3InChIKey
PMUXZUZCMFMDEM-UHFFFAOYSA-NSynonyms
1(2((1R)4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethoxy)3methyl78910tetrahydro6Hbenzo(c)chromen6one
1(2(4ahydroxy1phenyl13456788aoctahydroisoquinolin2yl)2oxoethoxy)3methyl78910tetrahydrobenzo(c)chromen6one
1(2(4ahydroxy1phenyloctahydroisoquinolin2(1H)yl)2oxoethoxy)3methyl78910tetrahydro6Hbenzo(c)chromen6one
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)N4CCC5(CCCCC5C4C6=CC=CC=C6)O
Cc1cc(OCC(=O)N2CCC3(C((C@@H)2c2ccccc2)CCCC3)O)c2c(c1)oc(=O)c1c2CCCC1
InChI=1SC31H35NO5c1201725(282211561223(22)30(34)3726(28)1820)361927(33)32161531(35)14871324(31)29(32)2193241021h249101718242935H58111619H21H3
MFCD18185365
ZINC000002123701
ZINC000257173518
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