Vitas-M small molecule compound
(2E)-4-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]amino}-2-methyl-4-oxobut-2-enoic acid
Catalog ID
STK428895
SMILES N#Cc1c(NC(=O)/C=C(/C(=O)O)\C)sc(c1c1ccc(cc1)OC)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 C18H16N2O4S MW 356.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O4S/c1-10(18(22)23)8-15(21)20-17-14(9-19)16(11(2)25-17)12-4-6-13(24-3)7-5-12/h4-8H,1-3H3,(H,20,21)(H,22,23)/b10-8+InChIKey
WLNWELBBMWZXHF-CSKARUKUSA-NSynonyms
(2E)3(N(3CYANO4(4METHOXYPHENYL)5METHYL(2THIENYL))CARBAMOYL)2METHYLPROP2ENOICACID
(2E)4((3cyano4(4methoxyphenyl)5methylthiophen2yl)amino)2methyl4oxobut2enoicacid
(E)4((3CYANO4(4METHOXYPHENYL)5METHYLTHIOPHEN2YL)AMINO)2METHYL4OXOBUT2ENOICACID
CC1=C(C(=C(S1)NC(=O)C=C(C)C(=O)O)C#N)C2=CC=C(C=C2)OC
InChI=1SC18H16N2O4Sc110(18(22)23)815(21)201714(919)16(11(2)2517)124613(243)7512h48H13H3(H2021)(H2223)b108+
MFCD03465248
N#Cc1c(NC(=O)C=C(C(=O)O)C)sc(c1c1ccc(cc1)OC)C
ZINC000017073584
ZINC17073584
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