Vitas-M small molecule compound
dimethyl 3-methyl-5-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonothioyl)amino]thiophene-2,4-dicarboxylate
Catalog ID
STK456866
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)sc(c1C)C(=O)OC
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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 C21H22F3N3O4S2 MW 501.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O4S2/c1-12-15(18(28)30-2)17(33-16(12)19(29)31-3)25-20(32)27-9-7-26(8-10-27)14-6-4-5-13(11-14)21(22,23)24/h4-6,11H,7-10H2,1-3H3,(H,25,32)InChIKey
KDULQGBOSUFVAT-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC
dimethyl3methyl5(((4(3(trifluoromethyl)phenyl)piperazin1yl)carbonothioyl)amino)thiophene24dicarboxylate
DIMETHYL3METHYL5((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOYL)AMINO)THIOPHENE24DICARBOXYLATE
InChI=1SC21H22F3N3O4S2c11215(18(28)302)17(3316(12)19(29)313)2520(32)279726(81027)1464513(1114)21(2223)24h4611H710H213H3(H2532)
METHYL5(METHOXYCARBONYL)4METHYL2((THIOXO(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)METHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD05989636
ZINC000016346058
ZINC16346058
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