Vitas-M small molecule compound
methyl 2-({[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK457396
SMILES COC(=O)c1c(NC(=S)Nc2cnn(c2)Cc2c(F)cccc2Cl)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 C20H20ClFN4O2S2 MW 466.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClFN4O2S2/c1-4-13-11(2)30-18(17(13)19(27)28-3)25-20(29)24-12-8-23-26(9-12)10-14-15(21)6-5-7-16(14)22/h5-9H,4,10H2,1-3H3,(H2,24,25,29)InChIKey
VGXXJFVBOZNWGA-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F)C
InChI=1SC20H20ClFN4O2S2c141311(2)3018(17(13)19(27)283)2520(29)241282326(912)101415(21)65716(14)22h59H410H213H3(H2242529)
METHYL2((((1((6CHLORO2FLUOROPHENYL)METHYL)PYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(2chloro6fluorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((1((2CHLORO6FLUOROPHENYL)METHYL)PYRAZOL4YL)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD05119577
ZINC000001118704
ZINC01118704
ZINC1118704
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