Vitas-M small molecule compound
methyl 2-({[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK458092
SMILES COC(=O)c1c(NC(=S)Nc2cc(ccc2Cl)C(F)(F)F)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 C19H18ClF3N2O2S2 MW 462.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClF3N2O2S2/c1-27-17(26)15-11-5-3-2-4-6-14(11)29-16(15)25-18(28)24-13-9-10(19(21,22)23)7-8-12(13)20/h7-9H,2-6H2,1H3,(H2,24,25,28)InChIKey
GWDBEMZYMDLMNG-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC19H18ClF3N2O2S2c12717(26)15115324614(11)2916(15)2518(28)2413910(19(2122)23)7812(13)20h79H26H21H3(H2242528)
methyl2(((2chloro5(trifluoromethyl)phenyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2((2chloro5(trifluoromethyl)phenyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD05114946
ZINC000002857469
ZINC02857469
ZINC2857469
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