Vitas-M small molecule compound
7-[(3,4-dichlorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL537542
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=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 C30H33Cl2NO5 MW 558.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33Cl2NO5/c1-18-22-7-10-26(37-17-20-6-9-24(31)25(32)15-20)19(2)28(22)38-29(35)23(18)8-11-27(34)33-14-13-30(36)12-4-3-5-21(30)16-33/h6-7,9-10,15,21,36H,3-5,8,11-14,16-17H2,1-2H3InChIKey
ZVKRFDOBMVCBTE-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((34dichlorophenyl)methoxy)48dimethylchromen2one
4602000
7((34dichlorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
InChI=1SC30H33Cl2NO5c1182271026(3717206924(31)25(32)1520)19(2)28(22)3829(35)23(18)81127(34)33141330(36)1243521(30)1633h67910152136H35811141617H212H3
MFCD07211885
ZINC000002108707
ZINC000103519430
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