Vitas-M small molecule compound
[(4-{[(8xi,9xi,14xi)-17-(acetyloxy)-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)acetic acid
Catalog ID
STL527382
SMILES O=C(NC(c1ccccc1)C(=O)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 C35H43NO9 MW 621.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H43NO9/c1-21(37)45-35(28(39)20-44-30(41)12-11-29(40)36-31(32(42)43)22-7-5-4-6-8-22)18-15-27-25-10-9-23-19-24(38)13-16-33(23,2)26(25)14-17-34(27,35)3/h4-8,19,25-27,31H,9-18,20H2,1-3H3,(H,36,40)(H,42,43)/t25?,26?,27?,31?,33-,34-,35-/m0/s1InChIKey
HUTBSIZUNYEZFU-HGKNUFLXSA-NSynonyms
((4(((8xi9xi14xi)17(acetyloxy)320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)(phenyl)aceticacid
2((4(2((10~(R)13~(S)17~(R))17acetyloxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2phenylaceticacid
2(4(2((8R9S10R13S14S17R)17acetoxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2phenylaceticacid
44661553
InChI=1SC35H43NO9c121(37)4535(28(39)204430(41)121129(40)3631(32(42)43)227546822)18152725109231924(38)131633(232)26(25)141734(2735)3h4819252731H91820H213H3(H3640)(H4243)t25?26?27?31?333435m0s1
MFCD03267265
O=C(NC(c1ccccc1)C(=O)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
ZINC000254480742
ZINC000254480745
Check stock
See real-time availability and sample size for STL527382 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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