Vitas-M small molecule compound
5-hydroxy-N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophan
Catalog ID
STL528748
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)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 C36H44N2O9 MW 648.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O9/c1-34-12-9-23(40)16-21(34)3-5-24-26(34)10-13-35(2)27(24)11-14-36(35,46)30(41)19-47-32(43)8-7-31(42)38-29(33(44)45)15-20-18-37-28-6-4-22(39)17-25(20)28/h4,6,16-18,24,26-27,29,37,39,46H,3,5,7-15,19H2,1-2H3,(H,38,42)(H,44,45)/t24?,26?,27?InChIKey
STXSYZVNJGDNNR-LTWYHIRJSA-NSynonyms
135639379
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(5hydroxy1~(H)indol3yl)propanoicacid
2(4(2((8R10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(5hydroxy1Hindol3yl)propanoicacid
5hydroxyN(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)tryptophan
InChI=1SC36H44N2O9c13412923(40)1621(34)352426(34)101335(2)27(24)111436(3546)30(41)194732(43)8731(42)3829(33(44)45)15201837286422(39)1725(20)28h46161824262729373946H3571519H212H3(H3842)(H4445)t24?26?27?29?343536m0s1
O=C(NC(C(=O)O)Cc1c(nH)c2c1cc(O)cc2)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1(C@H)2CCC2=CC(=O)CC(C@)12C
ZINC001772492512
ZINC001772492515
Check stock
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