Vitas-M small molecule compound
4-[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino]-3-phenylbutanoic acid
Catalog ID
STL527344
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NCC(c1ccccc1)CC(=O)O
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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 C35H45NO8 MW 607.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H45NO8/c1-33-15-12-25(37)19-24(33)8-9-26-27(33)13-16-34(2)28(26)14-17-35(34,43)29(38)21-44-32(42)11-10-30(39)36-20-23(18-31(40)41)22-6-4-3-5-7-22/h3-7,19,23,26-28,43H,8-18,20-21H2,1-2H3,(H,36,39)(H,40,41)/t23?,26?,27?,28?,33-,34-,35-/m0/s1InChIKey
QYFJLFPMQBZNPI-YEHAOMRWSA-NSynonyms
4((4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)3phenylbutanoicacid
4((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylbutanoicacid
4(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylbutanoicacid
44660834
InChI=1SC35H45NO8c133151225(37)1924(33)892627(33)131634(2)28(26)141735(3443)29(38)214432(42)111030(39)362023(1831(40)41)226435722h371923262843H8182021H212H3(H3639)(H4041)t23?26?27?28?333435m0s1
MFCD03266648
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NCC(c1ccccc1)CC(=O)O
ZINC000253487817
ZINC000253522774
Check stock
See real-time availability and sample size for STL527344 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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