Vitas-M small molecule compound
methyl 2-({[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK436792
SMILES COC(=O)c1cc(sc1NC(=S)Nc1c(C)nn(c1C)Cc1c(F)cccc1Cl)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 C20H20ClFN4O2S2 MW 466.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN4O2S2/c1-10-8-13(19(27)28-4)18(30-10)24-20(29)23-17-11(2)25-26(12(17)3)9-14-15(21)6-5-7-16(14)22/h5-8H,9H2,1-4H3,(H2,23,24,29)InChIKey
DQVGELVLXBAVRZ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=C(C=CC=C3Cl)F)C)C(=O)OC
InChI=1SC20H20ClFN4O2S2c110813(19(27)284)18(3010)2420(29)231711(2)2526(12(17)3)91415(21)65716(14)22h58H9H214H3(H2232429)
METHYL2((((1((2CHLORO6FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(2chloro6fluorobenzyl)35dimethyl1Hpyrazol4yl)carbamothioyl)amino)5methylthiophene3carboxylate
METHYL2((1((2CHLORO6FLUOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945194
ZINC000020344902
ZINC20344902
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