Vitas-M small molecule compound
7-[(2,4-difluorobenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL536931
SMILES Fc1ccc(c(c1)F)COc1ccc2c(c1C)oc(=O)c(c2C)CCC(=O)N1CCC2(C(C1)CCCC2)O
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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 C30H33F2NO5 MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33F2NO5/c1-18-23-8-10-26(37-17-20-6-7-22(31)15-25(20)32)19(2)28(23)38-29(35)24(18)9-11-27(34)33-14-13-30(36)12-4-3-5-21(30)16-33/h6-8,10,15,21,36H,3-5,9,11-14,16-17H2,1-2H3InChIKey
ROGYXFQXFZTOQF-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)7((24difluorophenyl)methoxy)48dimethylchromen2one
4315900
7((24difluorobenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
InChI=1SC30H33F2NO5c1182381026(3717206722(31)1525(20)32)19(2)28(23)3829(35)24(18)91127(34)33141330(36)1243521(30)1633h6810152136H35911141617H212H3
MFCD31754486
ZINC000002111829
ZINC000015955030
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