Vitas-M small molecule compound
methyl 2-{[(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK440682
SMILES COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc(c1C)C(=O)N(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 C19H18ClFN2O4S MW 424.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClFN2O4S/c1-10-15(19(26)27-4)17(28-16(10)18(25)23(2)3)22-14(24)9-8-11-12(20)6-5-7-13(11)21/h5-9H,1-4H3,(H,22,24)/b9-8+InChIKey
ZNLVNNALZJBGQH-CMDGGOBGSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C=CC2=C(C=CC=C2Cl)F)C(=O)N(C)C
COC(=O)c1c(NC(=O)C=Cc2c(F)cccc2Cl)sc(c1C)C(=O)N(C)C
InChI=1SC19H18ClFN2O4Sc11015(19(26)274)17(2816(10)18(25)23(2)3)2214(24)981112(20)65713(11)21h59H14H3(H2224)b98+
methyl2(((2E)3(2chloro6fluorophenyl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)3(2CHLORO6FLUOROPHENYL)PROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)3(2CHLORO6FLUOROPHENYL)PROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03391264
ZINC000001117165
ZINC01117165
ZINC1117165
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