Vitas-M small molecule compound
3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-(naphthalen-2-ylmethoxy)-2H-chromen-2-one
Catalog ID
STL537662
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc2c(c1)cccc2
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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 C33H35NO5 MW 525.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO5/c1-21-27-12-13-29(38-20-23-10-11-24-7-3-4-8-25(24)17-23)22(2)31(27)39-32(36)28(21)18-30(35)34-16-15-33(37)14-6-5-9-26(33)19-34/h3-4,7-8,10-13,17,26,37H,5-6,9,14-16,18-20H2,1-2H3InChIKey
JXCYNVSWHMSURE-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)48dimethyl7(naphthalen2ylmethoxy)chromen2one
3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl7(naphthalen2ylmethoxy)2Hchromen2one
3695830
InChI=1SC33H35NO5c12127121329(382023101124734825(24)1723)22(2)31(27)3932(36)28(21)1830(35)34161533(37)1465926(33)1934h34781013172637H56914161820H212H3
MFCD31754506
ZINC000002109887
ZINC000015954461
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