Vitas-M small molecule compound
(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-4-oxobutanoate
Catalog ID
STL527180
SMILES COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C
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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 C36H45NO9 MW 635.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45NO9/c1-22(38)46-36(19-16-28-26-11-10-24-20-25(39)14-17-34(24,2)27(26)15-18-35(28,36)3)29(40)21-45-31(42)13-12-30(41)37-32(33(43)44-4)23-8-6-5-7-9-23/h5-9,20,26-28,32H,10-19,21H2,1-4H3,(H,37,41)/t26?,27?,28?,32?,34-,35-,36-/m0/s1InChIKey
IXSDSZNQCWGEKV-YDQHYFIISA-NSynonyms
(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethyl)4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
(8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethyl4((2methoxy2oxo1phenylethyl)amino)4oxobutanoate
44663090
COC(=O)C(c1ccccc1)NC(=O)CCC(=O)OCC(=O)(C@)1(CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)OC(=O)C
InChI=1SC36H45NO9c122(38)4636(191628261110242025(39)141734(242)27(26)151835(2836)3)29(40)214531(42)131230(41)3732(33(43)444)238657923h5920262832H101921H214H3(H3741)t26?27?28?32?343536m0s1
MFCD03266866
ZINC000253505247
ZINC000253505260
Check stock
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Check stock on Vitas-MAvailable files
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