Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,11,20-trioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)threonine
Catalog ID
STL528188
SMILES O=C(NC(C(=O)O)C(O)C)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(=O)C1C2CCC2=CC(=O)CC[C@]12C
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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 C29H39NO10 MW 561.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39NO10/c1-15(31)25(26(37)38)30-22(35)6-7-23(36)40-14-21(34)29(39)11-9-19-18-5-4-16-12-17(32)8-10-27(16,2)24(18)20(33)13-28(19,29)3/h12,15,18-19,24-25,31,39H,4-11,13-14H2,1-3H3,(H,30,35)(H,37,38)/t15?,18?,19?,24?,25?,27-,28-,29-/m0/s1InChIKey
FSMVAOYEDATITI-KOYORIMZSA-NSynonyms
3hydroxy2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl311dioxo12678912141516decahydrocyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)butanoicacid
3hydroxy2(4(2((8S9S10R13S14S17R)17hydroxy1013dimethyl311dioxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)butanoicacid
44663922
InChI=1SC29H39NO10c115(31)25(26(37)38)3022(35)6723(36)401421(34)29(39)119191854161217(32)81027(162)24(18)20(33)1328(1929)3h1215181924253139H4111314H213H3(H3035)(H3738)t15?18?19?24?25?272829m0s1
MFCD03849961
N(4(((8xi9xi14xi)17hydroxy31120trioxopregn4en21yl)oxy)4oxobutanoyl)threonine
O=C(NC(C(=O)O)C(O)C)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(=O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253503111
ZINC000253503120
Check stock
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Check stock on Vitas-MAvailable files
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