Vitas-M small molecule compound
4-({3-(ethoxycarbonyl)-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}amino)-4-oxobutanoic acid
Catalog ID
STK471831
SMILES CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(c1c1ccc(cc1)C(C)C)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 C21H25NO5S MW 403.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S/c1-5-27-21(26)19-18(15-8-6-14(7-9-15)12(2)3)13(4)28-20(19)22-16(23)10-11-17(24)25/h6-9,12H,5,10-11H2,1-4H3,(H,22,23)(H,24,25)InChIKey
OMFOTZVZGLORGB-UHFFFAOYSA-NSynonyms
3(N(3(ETHOXYCARBONYL)5METHYL4(4(METHYLETHYL)PHENYL)2THIENYL)CARBAMOYL)PROPANOICACID
4((3(ethoxycarbonyl)5methyl4(4(propan2yl)phenyl)thiophen2yl)amino)4oxobutanoicacid
4((3ethoxycarbonyl5methyl4(4propan2ylphenyl)thiophen2yl)amino)4oxobutanoicacid
CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)C)C)NC(=O)CCC(=O)O
InChI=1SC21H25NO5Sc152721(26)1918(158614(7915)12(2)3)13(4)2820(19)2216(23)101117(24)25h6912H51011H214H3(H2223)(H2425)
MFCD02255304
ZINC000005953012
ZINC5953012
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