Vitas-M small molecule compound
4-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-4-oxobutanoic acid
Catalog ID
STK472444
SMILES O=C(Nc1sc(c(c1C(=O)N)c1ccc(c(c1)C)C)C)CCC(=O)O
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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 C18H20N2O4S MW 360.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O4S/c1-9-4-5-12(8-10(9)2)15-11(3)25-18(16(15)17(19)24)20-13(21)6-7-14(22)23/h4-5,8H,6-7H2,1-3H3,(H2,19,24)(H,20,21)(H,22,23)InChIKey
FAGGGNBJYZHGDV-UHFFFAOYSA-NSynonyms
3(N(4(34DIMETHYLPHENYL)3CARBAMOYL5METHYL2THIENYL)CARBAMOYL)PROPANOICACID
4((3carbamoyl4(34dimethylphenyl)5methylthiophen2yl)amino)4oxobutanoicacid
CC1=C(C=C(C=C1)C2=C(SC(=C2C(=O)N)NC(=O)CCC(=O)O)C)C
InChI=1SC18H20N2O4Sc194512(810(9)2)1511(3)2518(16(15)17(19)24)2013(21)6714(22)23h458H67H213H3(H21924)(H2021)(H2223)
MFCD06030816
ZINC000017074243
ZINC17074243
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