Vitas-M small molecule compound
ethyl 2-({[1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-4-yl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438565
SMILES CCOC(=O)c1c(NC(=S)Nc2cn(nc2C)Cc2ccc(cc2)Cl)sc2c1CCCCC2
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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 C24H27ClN4O2S2 MW 503.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27ClN4O2S2/c1-3-31-23(30)21-18-7-5-4-6-8-20(18)33-22(21)27-24(32)26-19-14-29(28-15(19)2)13-16-9-11-17(25)12-10-16/h9-12,14H,3-8,13H2,1-2H3,(H2,26,27,32)InChIKey
XDHNXZKIYDAIJZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CN(N=C3C)CC4=CC=C(C=C4)Cl
ethyl2(((1(4chlorobenzyl)3methyl1Hpyrazol4yl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((1((4chlorophenyl)methyl)3methylpyrazol4yl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC24H27ClN4O2S2c133123(30)21187546820(18)3322(21)2724(32)26191429(2815(19)2)131691117(25)121016h91214H3813H212H3(H2262732)
MFCD03945442
ZINC000020168524
ZINC20168524
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