Vitas-M small molecule compound
4-[{[5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methyl}(2-phenylethyl)amino]-4-oxobutanoic acid
Catalog ID
STK682366
SMILES CCOC(=O)c1[nH]c(c(c1C)CN(C(=O)CCC(=O)O)CCc1ccccc1)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 C22H28N2O5 MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O5/c1-4-29-22(28)21-15(2)18(16(3)23-21)14-24(19(25)10-11-20(26)27)13-12-17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,26,27)InChIKey
ASEIPTJQVIMPFX-UHFFFAOYSA-NSynonyms
4(((5(ethoxycarbonyl)24dimethyl1Hpyrrol3yl)methyl)(2phenylethyl)amino)4oxobutanoicacid4((5ethoxycarbonyl24dimethyl1Hpyrrol3yl)methyl(2phenylethyl)amino)4oxobutanoicacid
4((5ETHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHYLPHENETHYLAMINO)4OXOBUTANOICACID
CCOC(=O)c1(nH)c(c(c1C)CN(C(=O)CCC(=O)O)CCc1ccccc1)C
CCOC(=O)C1=C(C(=C(N1)C)CN(CCC2=CC=CC=C2)C(=O)CCC(=O)O)C
Registry IDs
MFCD03855650ZINC000003627280
ZINC3627280
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