Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophan
Catalog ID
STL525601
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)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 C36H44N2O9 MW 648.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O9/c1-34-13-11-22(39)16-21(34)7-8-24-25-12-14-36(46,35(25,2)17-28(40)32(24)34)29(41)19-47-31(43)10-9-30(42)38-27(33(44)45)15-20-18-37-26-6-4-3-5-23(20)26/h3-6,16,18,24-25,27-28,32,37,40,46H,7-15,17,19H2,1-2H3,(H,38,42)(H,44,45)/t24?,25?,2InChIKey
DJJOTTVFVWNCDS-GXRPXPTPSA-NSynonyms
135639073
2((4(2((10~(R)13~(S)17~(R))1117dihydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(1~(H)indol3yl)propanoicacid
2(4(2((8S9S10R11S13S14S17R)1117dihydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(1Hindol3yl)propanoicacid
InChI=1SC36H44N2O9c134131122(39)1621(34)782425121436(4635(252)1728(40)32(24)34)29(41)194731(43)10930(42)3827(33(44)45)1520183726643523(20)26h3616182425272832374046H7151719H212H3(H3842)(H4445)t24?25?27?28?32?343536m0s1
MFCD02056857
N(4(((8xi9xi14xi)1117dihydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CCC(=O)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
ZINC001772491842
ZINC001772491847
Check stock
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