Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Catalog ID
STL527120
SMILES O=C(OCC(=O)[C@]1(CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)OC(=O)C)CCC(=O)NC(C(=O)O)Cc1ccccc1
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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(18-15-28-26-10-9-24-20-25(39)13-16-34(24,2)27(26)14-17-35(28,36)3)30(40)21-45-32(42)12-11-31(41)37-29(33(43)44)19-23-7-5-4-6-8-23/h4-8,20,26-29H,9-19,21H2,1-3H3,(H,37,41)(H,43,44)/t26?,27?,28?,29?,34-,35-,36-/m0/s1InChIKey
JVRXIUGBWIADGU-GFVCBJBQSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylpropanoicacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylpropanoicacid
44662182
InChI=1SC36H45NO9c122(38)4636(18152826109242025(39)131634(242)27(26)141735(2836)3)30(40)214532(42)121131(41)3729(33(43)44)19237546823h48202629H91921H213H3(H3741)(H4344)t26?27?28?29?343536m0s1
MFCD03266738
N(4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)phenylalanine
O=C(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)CCC(=O)NC(C(=O)O)Cc1ccccc1
ZINC000253505368
ZINC000253505380
Check stock
See real-time availability and sample size for STL527120 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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