Vitas-M small molecule compound

(5alpha)-14-hydroxy-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-3-yl dodecanoate

Catalog ID
STL553016
SMILES CCCCCCCCCCCC(=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 C31H43NO5 MW 509.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43NO5/c1-3-5-6-7-8-9-10-11-12-13-26(34)36-24-15-14-22-21-25-31(35)17-16-23(33)29-30(31,27(22)28(24)37-29)18-20-32(25)19-4-2/h4,14-15,25,29,35H,2-3,5-13,16-21H2,1H3/t25?,29?,30-,31+/m0/s1
InChIKey
COVBJJPHWQNPOR-LEORWWDZSA-N
Synonyms

((4~(a)~(S)12~(b)~(S))4~(a)hydroxy7oxo3prop2enyl24567~(a)13hexahydro1~(H)412methanobenzofuro(32e)isoquinolin9yl)dodecanoate
(4R4aS7aR12bS)3allyl4ahydroxy7oxo2344a5677aoctahydro1H412methanobenzofuro(32e)isoquinolin9yldodecanoate
(5alpha)14hydroxy6oxo17(prop2en1yl)45epoxymorphinan3yldodecanoate
16397612
CCCCCCCCCCCC(=O)Oc1ccc2c3c1OC1(C@@)43CCN(C(C2)(C@)4(O)CCC1=O)CC=C
InChI=1SC31H43NO5c13567891011121326(34)3624151422212531(35)171623(33)2930(3127(22)28(24)3729)182032(25)1942h41415252935H235131621H21H3t25?29?3031+m0s1
ZINC000085893506
ZINC000085893509

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Available files

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