Vitas-M small molecule compound
methyl 5-ethyl-2-[({1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}carbamothioyl)amino]thiophene-3-carboxylate
Catalog ID
STK455182
SMILES COC(=O)c1cc(sc1NC(=S)Nc1ncn(n1)Cc1cccc(c1)C(F)(F)F)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 C19H18F3N5O2S2 MW 469.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F3N5O2S2/c1-3-13-8-14(16(28)29-2)15(31-13)24-18(30)25-17-23-10-27(26-17)9-11-5-4-6-12(7-11)19(20,21)22/h4-8,10H,3,9H2,1-2H3,(H2,24,25,26,30)InChIKey
XUKOPEPLIBUTRI-UHFFFAOYSA-NSynonyms
CCC1=CC(=C(S1)NC(=S)NC2=NN(C=N2)CC3=CC(=CC=C3)C(F)(F)F)C(=O)OC
InChI=1SC19H18F3N5O2S2c1313814(16(28)292)15(3113)2418(30)2517231027(2617)91154612(711)19(2021)22h4810H39H212H3(H224252630)
methyl5ethyl2(((1(3(trifluoromethyl)benzyl)1H124triazol3yl)carbamothioyl)amino)thiophene3carboxylate
METHYL5ETHYL2((1((3(TRIFLUOROMETHYL)PHENYL)METHYL)124TRIAZOL3YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
METHYL5ETHYL2((THIOXO((1((3(TRIFLUOROMETHYL)PHENYL)METHYL)(124TRIAZOL3YL))AMINO)METHYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD04227671
ZINC000002857184
ZINC02857184
ZINC2857184
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