Vitas-M small molecule compound
methyl 2-({[1-(2-chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-yl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK462078
SMILES COC(=O)c1cc(sc1NC(=S)Nc1ncn(n1)Cc1ccc(cc1Cl)F)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 C17H15ClFN5O2S2 MW 439.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN5O2S2/c1-9-5-12(15(25)26-2)14(28-9)21-17(27)22-16-20-8-24(23-16)7-10-3-4-11(19)6-13(10)18/h3-6,8H,7H2,1-2H3,(H2,21,22,23,27)InChIKey
LWFZTGZNVIJAKK-UHFFFAOYSA-NSynonyms
CC1=CC(=C(S1)NC(=S)NC2=NN(C=N2)CC3=C(C=C(C=C3)F)Cl)C(=O)OC
InChI=1SC17H15ClFN5O2S2c19512(15(25)262)14(289)2117(27)221620824(2316)7103411(19)613(10)18h368H7H212H3(H221222327)
METHYL2((((1((2CHLORO4FLUOROPHENYL)METHYL)(124TRIAZOL3YL))AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(2chloro4fluorobenzyl)1H124triazol3yl)carbamothioyl)amino)5methylthiophene3carboxylate
METHYL2((1((2CHLORO4FLUOROPHENYL)METHYL)124TRIAZOL3YL)CARBAMOTHIOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD05055830
ZINC000002852326
ZINC02852326
ZINC2852326
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