Vitas-M small molecule compound

ethyl 5-(diethylcarbamoyl)-2-{[(2E)-3-(4-fluorophenyl)prop-2-enoyl]amino}-4-methylthiophene-3-carboxylate

Catalog ID
STK435449
SMILES CCOC(=O)c1c(NC(=O)/C=C/c2ccc(cc2)F)sc(c1C)C(=O)N(CC)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 C22H25FN2O4S MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN2O4S/c1-5-25(6-2)21(27)19-14(4)18(22(28)29-7-3)20(30-19)24-17(26)13-10-15-8-11-16(23)12-9-15/h8-13H,5-7H2,1-4H3,(H,24,26)/b13-10+
InChIKey
QMLJKPTXRLMTEB-JLHYYAGUSA-N
Synonyms

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)F)C(=O)OCC)C
CCOC(=O)c1c(NC(=O)C=Cc2ccc(cc2)F)sc(c1C)C(=O)N(CC)CC
ETHYL2((2E)3(4FLUOROPHENYL)PROP2ENOYLAMINO)5(NNDIETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
ETHYL5((DIETHYLAMINO)CARBONYL)2((3(4FLUOROPHENYL)ACRYLOYL)AMINO)4METHYL3THIOPHENECARBOXYLATE
ethyl5(diethylcarbamoyl)2(((2E)3(4fluorophenyl)prop2enoyl)amino)4methylthiophene3carboxylate
ETHYL5(DIETHYLCARBAMOYL)2(((E)3(4FLUOROPHENYL)PROP2ENOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC22H25FN2O4Sc1525(62)21(27)1914(4)18(22(28)2973)20(3019)2417(26)13101581116(23)12915h813H57H214H3(H2426)b1310+
MFCD03385614
ZINC000000656954
ZINC00656954
ZINC656954

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.