Vitas-M small molecule compound
ethyl 5-carbamoyl-4-methyl-2-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]thiophene-3-carboxylate
Catalog ID
STK459366
SMILES CCOC(=O)c1c(NC(=O)CN2CCN(CC2)c2cccc(c2)C(F)(F)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 C22H25F3N4O4S MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F3N4O4S/c1-3-33-21(32)17-13(2)18(19(26)31)34-20(17)27-16(30)12-28-7-9-29(10-8-28)15-6-4-5-14(11-15)22(23,24)25/h4-6,11H,3,7-10,12H2,1-2H3,(H2,26,31)(H,27,30)InChIKey
NRHHQMFPPGWCKM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
ethyl5carbamoyl4methyl2(((4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ethyl5carbamoyl4methyl2((2(4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)amino)thiophene3carboxylate
ETHYL5CARBAMOYL4METHYL2(2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H25F3N4O4Sc133321(32)1713(2)18(19(26)31)3420(17)2716(30)12287929(10828)1564514(1115)22(2324)25h4611H371012H212H3(H22631)(H2730)
MFCD05070919
ZINC000020168052
ZINC20168052
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