Vitas-M small molecule compound
7-[(4-tert-butylbenzyl)oxy]-3-[3-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-3-oxopropyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL461186
SMILES O=C(N1CCC2(C(C1)CCCC2)O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)C(C)(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 C34H43NO5 MW 545.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO5/c1-22-27-13-15-29(39-21-24-9-11-25(12-10-24)33(3,4)5)23(2)31(27)40-32(37)28(22)14-16-30(36)35-19-18-34(38)17-7-6-8-26(34)20-35/h9-13,15,26,38H,6-8,14,16-21H2,1-5H3InChIKey
YAHWCSONUWAONO-UHFFFAOYSA-NSynonyms
3(3(4ahydroxy13456788aoctahydroisoquinolin2yl)3oxopropyl)7((4tertbutylphenyl)methoxy)48dimethylchromen2one
7((4(tertbutyl)benzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
7((4tertbutylbenzyl)oxy)3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)48dimethyl2Hchromen2one
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC=C(C=C3)C(C)(C)C)CCC(=O)N4CCC5(CCCCC5C4)O
InChI=1SC34H43NO5c12227131529(39212491125(121024)33(34)5)23(2)31(27)4032(37)28(22)141630(36)35191834(38)1776826(34)2035h913152638H68141621H215H3
MFCD10040848
ZINC000002111937
ZINC000011867140
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