Vitas-M small molecule compound
beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Catalog ID
STL529160
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(c1ccccc1)O)C(=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 C34H41NO10 MW 623.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41NO10/c1-32-14-12-21(36)16-20(32)8-9-22-23-13-15-34(44,33(23,2)17-24(37)28(22)32)25(38)18-45-27(40)11-10-26(39)35-29(31(42)43)30(41)19-6-4-3-5-7-19/h3-7,16,22-23,28-30,41,44H,8-15,17-18H2,1-2H3,(H,35,39)(H,42,43)/t22?,23?,28?,29?,30?,32-,33-InChIKey
ATBUFJDZMRCVPQ-HLKIZOOESA-NSynonyms
16404734
3hydroxy2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylpropanoicacid
3hydroxy2(4(2((10R13S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylpropanoicacid
betahydroxyN(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)phenylalanine
InChI=1SC34H41NO10c132141221(36)1620(32)892223131534(4433(232)1724(37)28(22)32)25(38)184527(40)111026(39)3529(31(42)43)30(41)196435719h3716222328304144H8151718H212H3(H3539)(H4243)t22?23?28?29?30?323334m0s1
MFCD05725114
O=C(OCC(=O)(C@@)1(O)CCC2(C@)1(C)CC(=O)C1C2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(c1ccccc1)O)C(=O)O
ZINC000253504225
ZINC000253504243
Check stock
See real-time availability and sample size for STL529160 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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