Vitas-M small molecule compound
ethyl N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxyphenylalaninate
Catalog ID
STL527923
SMILES CCOC(=O)C(C(c1ccccc1)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 C36H47NO10 MW 653.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H47NO10/c1-4-46-33(44)31(32(43)21-8-6-5-7-9-21)37-28(41)12-13-29(42)47-20-27(40)36(45)17-15-25-24-11-10-22-18-23(38)14-16-34(22,2)30(24)26(39)19-35(25,36)3/h5-9,18,24-26,30-32,39,43,45H,4,10-17,19-20H2,1-3H3,(H,37,41)/t24?,25?,26?,30?,31?,32?,InChIKey
DGZOAZONTZPAPL-NHMYZVQHSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((1ethoxy3hydroxy1oxo3phenylpropan2yl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((1ethoxy3hydroxy1oxo3phenylpropan2yl)amino)4oxobutanoate
44661089
CCOC(=O)C(C(c1ccccc1)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
ethylN(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)betahydroxyphenylalaninate
InChI=1SC36H47NO10c144633(44)31(32(43)218657921)3728(41)121329(42)472027(40)36(45)171525241110221823(38)141634(222)30(24)26(39)1935(2536)3h591824263032394345H410171920H213H3(H3741)t24?25?26?30?31?32?343536m0s1
MFCD03661217
ZINC000253504538
ZINC000253504549
Check stock
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