Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)phenylalanine
Catalog ID
STL525967
SMILES O=C(OCC(=O)[C@@]1(O)CCC2[C@]1(C)CC(O)C1C2CCC2=CC(=O)CC[C@]12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
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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/c1-32-14-12-22(36)17-21(32)8-9-23-24-13-15-34(43,33(24,2)18-26(37)30(23)32)27(38)19-44-29(40)11-10-28(39)35-25(31(41)42)16-20-6-4-3-5-7-20/h3-7,17,23-26,30,37,43H,8-16,18-19H2,1-2H3,(H,35,39)(H,41,42)/t23?,24?,25?,26?,30?,32-,33-,34-/m0InChIKey
QSQUMTHHMINFDZ-NBRRGWSHSA-NSynonyms
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3phenylpropanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3phenylpropanoicacid
44661675
InChI=1SC34H43NO9c132141222(36)1721(32)892324131534(4333(242)1826(37)30(23)32)27(38)194429(40)111028(39)3525(31(41)42)16206435720h37172326303743H8161819H212H3(H3539)(H4142)t23?24?25?26?30?323334m0s1
MFCD02058962
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)phenylalanine
O=C(OCC(=O)(C@@)1(O)CC(C@@H)2(C@)1(C)C(C@H)(O)(C@H)1(C@H)2CCC2=CC(=O)CC(C@)12C)CCC(=O)NC(C(=O)O)Cc1ccccc1
ZINC000253522765
ZINC000253522768
Check stock
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