Vitas-M small molecule compound
methyl N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-3-hydroxytyrosinate
Catalog ID
STL526763
SMILES COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C35H45NO11 MW 655.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45NO11/c1-33-12-10-21(37)16-20(33)5-6-22-23-11-13-35(45,34(23,2)17-27(40)31(22)33)28(41)18-47-30(43)9-8-29(42)36-24(32(44)46-3)14-19-4-7-25(38)26(39)15-19/h4,7,15-16,22-24,27,31,38-40,45H,5-6,8-14,17-18H2,1-3H3,(H,36,42)/t22?,23?,24?,27?,31?,InChIKey
VQJREPKBHCUTJQ-ZLUHVVBFSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((3(34dihydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((3(34dihydroxyphenyl)1methoxy1oxopropan2yl)amino)4oxobutanoate
44662234
COC(=O)C(Cc1ccc(c(c1)O)O)NC(=O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
InChI=1SC35H45NO11c133121021(37)1620(33)562223111335(4534(232)1727(40)31(22)33)28(41)184730(43)9829(42)3624(32(44)463)14194725(38)26(39)1519h47151622242731384045H568141718H213H3(H3642)t22?23?24?27?31?333435m0s1
methylN(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)3hydroxytyrosinate
MFCD03005654
ZINC000253506544
ZINC000253506557
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