Vitas-M small molecule compound
4-butyl-7-[2-(1-butyl-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethoxy]-8-methyl-2H-chromen-2-one
Catalog ID
STL003776
SMILES CCCCC1N(CCC2(C1CCCC2)O)C(=O)COc1ccc2c(c1C)oc(=O)cc2CCCC
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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 C29H41NO5 MW 483.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO5/c1-4-6-10-21-18-27(32)35-28-20(3)25(14-13-22(21)28)34-19-26(31)30-17-16-29(33)15-9-8-11-23(29)24(30)12-7-5-2/h13-14,18,23-24,33H,4-12,15-17,19H2,1-3H3InChIKey
HQHYUDWSTNBWEV-UHFFFAOYSA-NSynonyms
4butyl7(2(1butyl4ahydroxy13456788aoctahydroisoquinolin2yl)2oxoethoxy)8methylchromen2one
4BUTYL7(2(1BUTYL4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)2OXOETHOXY)8METHYL2HCHROMEN2ONE
CCCCC1C2CCCCC2(CCN1C(=O)COC3=C(C4=C(C=C3)C(=CC(=O)O4)CCCC)C)O
InChI=1SC29H41NO5c14610211827(32)352820(3)25(141322(21)28)341926(31)30171629(33)15981123(29)24(30)12752h131418232433H412151719H213H3
MFCD18185364
ZINC000002118212
ZINC000015955783
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