Vitas-M small molecule compound
(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl 4-{[2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL527516
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C40H55NO7 MW 661.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H55NO7/c1-36(2)26-39(21-23-48-36,27-8-6-5-7-9-27)20-22-41-34(44)12-13-35(45)47-25-33(43)40(46)19-16-32-30-11-10-28-24-29(42)14-17-37(28,3)31(30)15-18-38(32,40)4/h5-9,24,30-32,46H,10-23,25-26H2,1-4H3,(H,41,44)/t30?,31?,32?,37-,38-,39?,40-/m0/s1InChIKey
HHFOUNVSLCIOMO-KBXJWJMVSA-NSynonyms
(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4(2(22dimethyl4phenyloxan4yl)ethylamino)4oxobutanoate
(8xi9xi14xi)17hydroxy320dioxopregn4en21yl4((2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)amino)4oxobutanoate
16397865
2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2(22dimethyl4phenyltetrahydro2Hpyran4yl)ethyl)amino)4oxobutanoate
InChI=1SC40H55NO7c136(2)2639(21234836278657927)20224134(44)121335(45)472533(43)40(46)191632301110282429(42)141737(283)31(30)151838(3240)4h5924303246H10232526H214H3(H4144)t30?31?32?373839?40m0s1
MFCD03267681
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCCC1(CCOC(C1)(C)C)c1ccccc1
ZINC000253504981
ZINC000253504997
Check stock
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Check stock on Vitas-MAvailable files
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