Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL528842
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
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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 C40H53NO8 MW 675.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H53NO8/c1-36(2)25-39(19-21-49-36,26-8-6-5-7-9-26)18-20-41-33(45)12-13-34(46)48-24-32(44)40(47)17-15-30-29-11-10-27-22-28(42)14-16-37(27,3)35(29)31(43)23-38(30,40)4/h5-9,22,29-30,35,47H,10-21,23-25H2,1-4H3,(H,41,45)/t29?,30?,35?,37-,38-,39?,40-InChIKey
NOHWWZMHQYUGPB-KWHIBFJNSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethyl)4(2(22dimethyl4phenyloxan4yl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy31120trioxopregn4en21yl4((2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)amino)4oxobutanoate
16404576
2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)amino)4oxobutanoate
InChI=1SC40H53NO8c136(2)2539(19214936268657926)18204133(45)121334(46)482432(44)40(47)171530291110272228(42)141637(273)35(29)31(43)2338(3040)4h592229303547H10212325H214H3(H4145)t29?30?35?373839?40m0s1
MFCD05735740
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
ZINC000253505880
ZINC000253505889
Check stock
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Check stock on Vitas-MAvailable files
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