Vitas-M small molecule compound
(5alpha)-14-hydroxy-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-3-yl undec-10-enoate
Catalog ID
STL553008
SMILES C=CCCCCCCCCC(=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 C30H39NO5 MW 493.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H39NO5/c1-3-5-6-7-8-9-10-11-12-25(33)35-23-14-13-21-20-24-30(34)16-15-22(32)28-29(30,26(21)27(23)36-28)17-19-31(24)18-4-2/h3-4,13-14,24,28,34H,1-2,5-12,15-20H2/t24?,28?,29-,30+/m0/s1InChIKey
DQQNIOSHMHOPOK-AJDQHCTRSA-NSynonyms
((4~(a)~(S)12~(b)~(S))4~(a)hydroxy7oxo3prop2enyl24567~(a)13hexahydro1~(H)412methanobenzofuro(32e)isoquinolin9yl)undec10enoate
(4R4aS7aR12bS)3allyl4ahydroxy7oxo2344a5677aoctahydro1H412methanobenzofuro(32e)isoquinolin9ylundec10enoate
(5alpha)14hydroxy6oxo17(prop2en1yl)45epoxymorphinan3ylundec10enoate
16397587
C=CCCCCCCCCC(=O)Oc1ccc2c3c1OC1(C@@)43CCN(C(C2)(C@)4(O)CCC1=O)CC=C
InChI=1SC30H39NO5c135678910111225(33)3523141321202430(34)161522(32)2829(3026(21)27(23)3628)171931(24)1842h341314242834H125121520H2t24?28?2930+m0s1
ZINC000008964524
ZINC000012660731
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