Vitas-M small molecule compound
7-butoxy-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL461179
SMILES CCCCOc1ccc2c(c1C)oc(=O)c(c2C)CC(=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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-4-5-14-31-22-10-9-20-17(2)21(25(29)32-24(20)18(22)3)15-23(28)27-13-12-26(30)11-7-6-8-19(26)16-27/h9-10,19,30H,4-8,11-16H2,1-3H3InChIKey
NHFAXISHLPUFFJ-UHFFFAOYSA-NSynonyms
3(2(4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethyl)7butoxy48dimethylchromen2one
7butoxy3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
CCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC(=O)N3CCC4(CCCCC4C3)O)C)C
InChI=1SC26H35NO5c1451431221092017(2)21(25(29)3224(20)18(22)3)1523(28)27131226(30)1176819(26)1627h9101930H481116H213H3
MFCD10040841
ZINC000002112363
ZINC000011867124
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