Vitas-M small molecule compound
methyl 5-(diethylcarbamoyl)-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK433834
SMILES CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)/C=C/c1ccc(cc1)F)CC
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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 C21H23FN2O4S MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN2O4S/c1-5-24(6-2)20(26)18-13(3)17(21(27)28-4)19(29-18)23-16(25)12-9-14-7-10-15(22)11-8-14/h7-12H,5-6H2,1-4H3,(H,23,25)/b12-9+InChIKey
SYBFEENRLUZUQN-FMIVXFBMSA-NSynonyms
CCN(C(=O)c1sc(c(c1C)C(=O)OC)NC(=O)C=Cc1ccc(cc1)F)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)F)C(=O)OC)C
InChI=1SC21H23FN2O4Sc1524(62)20(26)1813(3)17(21(27)284)19(2918)2316(25)1291471015(22)11814h712H56H214H3(H2325)b129+
METHYL2((2E)3(4FLUOROPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL5((DIETHYLAMINO)CARBONYL)2((3(4FLUOROPHENYL)ACRYLOYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
methyl5(diethylcarbamoyl)2(((2E)3(4fluorophenyl)prop2enoyl)amino)4methylthiophene3carboxylate
METHYL5(DIETHYLCARBAMOYL)2(((E)3(4FLUOROPHENYL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03385147
ZINC000000656628
ZINC00656628
ZINC656628
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.