Vitas-M small molecule compound
(5alpha)-14-hydroxy-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-3-yl hexadecanoate
Catalog ID
STL552959
SMILES CCCCCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1[C@@]43CCN(C(C2)[C@]4(O)CCC1=O)CC=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 C35H51NO5 MW 565.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H51NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-30(38)40-28-19-18-26-25-29-35(39)21-20-27(37)33-34(35,31(26)32(28)41-33)22-24-36(29)23-4-2/h4,18-19,29,33,39H,2-3,5-17,20-25H2,1H3/t29?,33?,34-,35+/m0/s1InChIKey
NCPCVVREADBAPY-GDEOCJONSA-NSynonyms
((4~(a)~(S)12~(b)~(S))4~(a)hydroxy7oxo3prop2enyl24567~(a)13hexahydro1~(H)412methanobenzofuro(32e)isoquinolin9yl)hexadecanoate
(4R4aS7aR12bS)3allyl4ahydroxy7oxo2344a5677aoctahydro1H412methanobenzofuro(32e)isoquinolin9ylpalmitate
(5alpha)14hydroxy6oxo17(prop2en1yl)45epoxymorphinan3ylhexadecanoate
16397580
CCCCCCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1(C@@)43CCN(C(C2)(C@)4(O)CCC1=O)CC=C
InChI=1SC35H51NO5c1356789101112131415161730(38)4028191826252935(39)212027(37)3334(3531(26)32(28)4133)222436(29)2342h41819293339H235172025H21H3t29?33?3435+m0s1
ZINC000085893479
ZINC000085893482
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