Vitas-M small molecule compound
beta-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Catalog ID
STL527332
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=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 C34H43NO9 MW 609.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO9/c1-32-15-12-22(36)18-21(32)8-9-23-24(32)13-16-33(2)25(23)14-17-34(33,43)26(37)19-44-28(39)11-10-27(38)35-29(31(41)42)30(40)20-6-4-3-5-7-20/h3-7,18,23-25,29-30,40,43H,8-17,19H2,1-2H3,(H,35,38)(H,41,42)/t23?,24?,25?,29?,30?,32-,33-,34-/m0InChIKey
NWOFFNFNWVQAQS-IAEFFRONSA-NSynonyms
3hydroxy2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylpropanoicacid
3hydroxy2(4(2((8R9S10R13S14S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylpropanoicacid
44662110
betahydroxyN(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)phenylalanine
InChI=1SC34H43NO9c132151222(36)1821(32)892324(32)131633(2)25(23)141734(3343)26(37)194428(39)111027(38)3529(31(41)42)30(40)206435720h3718232529304043H81719H212H3(H3538)(H4142)t23?24?25?29?30?323334m0s1
MFCD03267601
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)NC(C(c1ccccc1)O)C(=O)O
ZINC000253505901
ZINC000253505916
Check stock
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Check stock on Vitas-MAvailable files
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