Vitas-M small molecule compound
methyl 2-({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]carbamothioyl}amino)-4-ethyl-5-methylthiophene-3-carboxylate
Catalog ID
STK437083
SMILES COC(=O)c1c(NC(=S)Nc2ccn(n2)Cc2ccc(cc2)Cl)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 C20H21ClN4O2S2 MW 449.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4O2S2/c1-4-15-12(2)29-18(17(15)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-5-7-14(21)8-6-13/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)InChIKey
KSHZAAAODBCOIN-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Cl)C
InChI=1SC20H21ClN4O2S2c141512(2)2918(17(15)19(26)273)2320(28)221691025(2416)11135714(21)8613h510H411H213H3(H222232428)
METHYL2((((1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)AMINO)THIOXOMETHYL)AMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
methyl2(((1(4chlorobenzyl)1Hpyrazol3yl)carbamothioyl)amino)4ethyl5methylthiophene3carboxylate
METHYL2((1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)CARBAMOTHIOYLAMINO)4ETHYL5METHYLTHIOPHENE3CARBOXYLATE
MFCD03945081
ZINC000019648405
ZINC19648405
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