Vitas-M small molecule compound
3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-7-[(pentamethylbenzyl)oxy]-2H-chromen-2-one
Catalog ID
STL541784
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(C)c(C)c(c(c1C)C)C
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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 C35H45NO5 MW 559.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45NO5/c1-20-21(2)23(4)30(24(5)22(20)3)19-40-31-13-11-28-25(6)29(34(38)41-33(28)26(31)7)12-14-32(37)36-17-16-35(39)15-9-8-10-27(35)18-36/h11,13,27,39H,8-10,12,14-19H2,1-7H3InChIKey
YPNQXZAJXRMUHG-UHFFFAOYSA-NSynonyms
3(3(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)48dimethyl7((23456pentamethylphenyl)methoxy)chromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((23456pentamethylbenzyl)oxy)2Hchromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl7((pentamethylbenzyl)oxy)2Hchromen2one
5179584
InChI=1SC35H45NO5c12021(2)23(4)30(24(5)22(20)3)19403113112825(6)29(34(38)4133(28)26(31)7)121432(37)36171635(39)15981027(35)1836h11132739H810121419H217H3
MFCD07199318
ZINC000002109210
ZINC000103536263
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