Vitas-M small molecule compound
ethyl 2-({[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438570
SMILES CCOC(=O)c1c(NC(=S)Nc2cnn(c2)Cc2c(Cl)cccc2Cl)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 C23H24Cl2N4O2S2 MW 523.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24Cl2N4O2S2/c1-2-31-22(30)20-15-7-4-3-5-10-19(15)33-21(20)28-23(32)27-14-11-26-29(12-14)13-16-17(24)8-6-9-18(16)25/h6,8-9,11-12H,2-5,7,10,13H2,1H3,(H2,27,28,32)InChIKey
IPULJVPSWWSEIQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=CN(N=C3)CC4=C(C=CC=C4Cl)Cl
ethyl2(((1(26dichlorobenzyl)1Hpyrazol4yl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((1((26dichlorophenyl)methyl)pyrazol4yl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC23H24Cl2N4O2S2c123122(30)201574351019(15)3321(20)2823(32)2714112629(1214)131617(24)86918(16)25h6891112H2571013H21H3(H2272832)
MFCD03945447
ZINC000020168526
ZINC20168526
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