Vitas-M small molecule compound
7-[(4-tert-butylbenzyl)oxy]-3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL537002
SMILES O=C(N1CCC2(C(C1)CCCC2)O)Cc1c(=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 C33H41NO5 MW 531.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO5/c1-21-26-13-14-28(38-20-23-9-11-24(12-10-23)32(3,4)5)22(2)30(26)39-31(36)27(21)18-29(35)34-17-16-33(37)15-7-6-8-25(33)19-34/h9-14,25,37H,6-8,15-20H2,1-5H3InChIKey
VKEQSYCXRIUDTA-UHFFFAOYSA-NSynonyms
3(2(4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2oxoethyl)7((4~(tert)butylphenyl)methoxy)48dimethylchromen2one
3772661
7((4(tertbutyl)benzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
7((4tertbutylbenzyl)oxy)3(2(4ahydroxyoctahydroisoquinolin2(1H)yl)2oxoethyl)48dimethyl2Hchromen2one
InChI=1SC33H41NO5c12126131428(38202391124(121023)32(34)5)22(2)30(26)3931(36)27(21)1829(35)34171633(37)1576825(33)1934h9142537H681520H215H3
MFCD31754489
ZINC000002109277
ZINC000015954280
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