Vitas-M small molecule compound
methyl 2-({[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK436787
SMILES COC(=O)c1cc(sc1NC(=S)Nc1c(C)nn(c1C)Cc1ccccc1Cl)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 C20H21ClN4O2S2 MW 449.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2S2/c1-11-9-15(19(26)27-4)18(29-11)23-20(28)22-17-12(2)24-25(13(17)3)10-14-7-5-6-8-16(14)21/h5-9H,10H2,1-4H3,(H2,22,23,28)InChIKey
QRKGOTIMRWKYAV-UHFFFAOYSA-NSynonyms
CC1=CC(=C(S1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC=C3Cl)C)C(=O)OC
InChI=1SC20H21ClN4O2S2c111915(19(26)274)18(2911)2320(28)221712(2)2425(13(17)3)1014756816(14)21h59H10H214H3(H2222328)
METHYL2((((1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)carbamothioyl)amino)5methylthiophene3carboxylate
METHYL2((1((2CHLOROPHENYL)METHYL)35DIMETHYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945185
ZINC000019648408
ZINC19648408
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