Vitas-M small molecule compound

methyl 4-ethyl-2-({[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate

Catalog ID
STK437076
SMILES COC(=O)c1c(NC(=S)Nc2c(C)nn(c2C)Cc2ccc(cc2)F)sc(c1CC)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 C22H25FN4O2S2 MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25FN4O2S2/c1-6-17-14(4)31-20(18(17)21(28)29-5)25-22(30)24-19-12(2)26-27(13(19)3)11-15-7-9-16(23)10-8-15/h7-10H,6,11H2,1-5H3,(H2,24,25,30)
InChIKey
GOEGIYMWQJPTDI-UHFFFAOYSA-N
Synonyms

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)F)C)C
InChI=1SC22H25FN4O2S2c161714(4)3120(18(17)21(28)295)2522(30)241912(2)2627(13(19)3)11157916(23)10815h710H611H215H3(H2242530)
METHYL4ETHYL2((((1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl4ethyl2(((1(4fluorobenzyl)35dimethyl1Hpyrazol4yl)carbamothioyl)amino)5methylthiophene3carboxylate
METHYL4ETHYL2((1((4FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945070
ZINC000020191511
ZINC20191511

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.