Vitas-M small molecule compound
[(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)amino](phenyl)acetic acid
Catalog ID
STL528237
SMILES O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C33H41NO8 MW 579.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41NO8/c1-31-15-12-22(35)18-21(31)8-9-23-24(31)13-16-32(2)25(23)14-17-33(32,41)26(36)19-42-28(38)11-10-27(37)34-29(30(39)40)20-6-4-3-5-7-20/h3-7,18,23-25,29,41H,8-17,19H2,1-2H3,(H,34,37)(H,39,40)/t23?,24?,25?,29?,31-,32-,33-/m0/s1InChIKey
AAWBDGGLUFHFCY-JOALHMMTSA-NSynonyms
((4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)amino)(phenyl)aceticacid
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)2phenylaceticacid
2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)2phenylaceticacid
44666009
InChI=1SC33H41NO8c131151222(35)1821(31)892324(31)131632(2)25(23)141733(3241)26(36)194228(38)111027(37)3429(30(39)40)206435720h371823252941H81719H212H3(H3437)(H3940)t23?24?25?29?313233m0s1
MFCD03853398
O=C(NC(c1ccccc1)C(=O)O)CCC(=O)OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC000253501699
ZINC000253501708
Check stock
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Check stock on Vitas-MAvailable files
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