Vitas-M small molecule compound

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

Catalog ID
STL552999
SMILES CCCCCCCCC(=O)Oc1ccc2c3c1O[C@@H]1[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 C28H37NO5 MW 467.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO5/c1-3-5-6-7-8-9-10-23(31)33-21-12-11-19-18-22-28(32)14-13-20(30)26-27(28,24(19)25(21)34-26)15-17-29(22)16-4-2/h4,11-12,22,26,32H,2-3,5-10,13-18H2,1H3/t22?,26-,27-,28+/m0/s1
InChIKey
YWZDAAWBEIZRMC-OZCDKMRVSA-N
Synonyms

((4~(a)~(S)7~(a)~(R)12~(b)~(S))4~(a)hydroxy7oxo3prop2enyl24567~(a)13hexahydro1~(H)412methanobenzofuro(32e)isoquinolin9yl)nonanoate
(4R4aS7aR12bS)3allyl4ahydroxy7oxo2344a5677aoctahydro1H412methanobenzofuro(32e)isoquinolin9ylnonanoate
(5alpha)14hydroxy6oxo17(prop2en1yl)45epoxymorphinan3ylnonanoate
16397596
CCCCCCCCC(=O)Oc1ccc2c3c1O(C@@H)1(C@@)43CCN(C(C2)(C@)4(O)CCC1=O)CC=C
InChI=1SC28H37NO5c13567891023(31)3321121119182228(32)141320(30)2627(2824(19)25(21)3426)151729(22)1642h41112222632H235101318H21H3t22?262728+m0s1
ZINC000001757905

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.