Vitas-M small molecule compound
(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Catalog ID
STL525363
SMILES COC(=O)C(c1ccccc1)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 C34H43NO9 MW 609.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO9/c1-32-15-13-22(36)17-21(32)9-10-23-24-14-16-34(42,33(24,2)18-25(37)29(23)32)26(38)19-44-28(40)12-11-27(39)35-30(31(41)43-3)20-7-5-4-6-8-20/h4-8,17,23-25,29-30,37,42H,9-16,18-19H2,1-3H3,(H,35,39)/t23?,24?,25?,29?,30?,32-,33-,34-/m0/s1InChIKey
DISFQMPWWPLXIG-IAEFFRONSA-NSynonyms
(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
(8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
44661306
COC(=O)C(c1ccccc1)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=1SC34H43NO9c132151322(36)1721(32)9102324141634(4233(242)1825(37)29(23)32)26(38)194428(40)121127(39)3530(31(41)433)207546820h4817232529303742H9161819H213H3(H3539)t23?24?25?29?30?323334m0s1
MFCD02059561
ZINC000253504553
ZINC000253504566
Check stock
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