Vitas-M small molecule compound
ethyl 5-carbamoyl-2-({[4-(4-fluorophenyl)piperazin-1-yl]acetyl}amino)-4-methylthiophene-3-carboxylate
Catalog ID
STK459036
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2ccc(cc2)F)sc(c1C)C(=O)N
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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 C21H25FN4O4S MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O4S/c1-3-30-21(29)17-13(2)18(19(23)28)31-20(17)24-16(27)12-25-8-10-26(11-9-25)15-6-4-14(22)5-7-15/h4-7H,3,8-12H2,1-2H3,(H2,23,28)(H,24,27)InChIKey
OMVVHBKECOJMFE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)F
ethyl5carbamoyl2(((4(4fluorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ethyl5carbamoyl2((2(4(4fluorophenyl)piperazin1yl)acetyl)amino)4methylthiophene3carboxylate
ETHYL5CARBAMOYL2(2(4(4FLUOROPHENYL)PIPERAZINYL)ACETYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC21H25FN4O4Sc133021(29)1713(2)18(19(23)28)3120(17)2416(27)122581026(11925)156414(22)5715h47H3812H212H3(H22328)(H2427)
MFCD05144613
ZINC000016479081
ZINC16479081
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