Vitas-M small molecule compound
5-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(4-fluorophenyl)amino]-5-oxopentanoic acid
Catalog ID
STK679395
SMILES CCOC(=O)c1[nH]c(c(c1C)CN(c1ccc(cc1)F)C(=O)CCCC(=O)O)C
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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 C21H25FN2O5 MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN2O5/c1-4-29-21(28)20-13(2)17(14(3)23-20)12-24(16-10-8-15(22)9-11-16)18(25)6-5-7-19(26)27/h8-11,23H,4-7,12H2,1-3H3,(H,26,27)InChIKey
COPMSAIAOOVTDU-UHFFFAOYSA-NSynonyms
5(((5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methyl)(4fluorophenyl)amino)5oxopentanoicacid
5(N((5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHYL)4FLUOROANILINO)5OXOPENTANOICACID
CCOC(=O)c1(nH)c(c(c1C)CN(c1ccc(cc1)F)C(=O)CCCC(=O)O)C
CCOC(=O)C1=C(C(=C(N1)C)CN(C2=CC=C(C=C2)F)C(=O)CCCC(=O)O)C
InChI=1SC21H25FN2O5c142921(28)2013(2)17(14(3)2320)1224(1610815(22)91116)18(25)65719(26)27h81123H4712H213H3(H2627)
MFCD03409421
ZINC000003622348
ZINC3622348
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