Vitas-M small molecule compound
ethyl 2-({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK438553
SMILES CCOC(=O)c1c(NC(=S)N(Cc2c(C)nn(c2C)C)C)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 C21H30N4O2S2 MW 434.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O2S2/c1-6-27-20(26)18-15-10-8-7-9-11-17(15)29-19(18)22-21(28)24(4)12-16-13(2)23-25(5)14(16)3/h6-12H2,1-5H3,(H,22,28)InChIKey
IUUGNCYYYJNEQL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)N(C)CC3=C(N(N=C3C)C)C
ethyl2((methyl((135trimethyl1Hpyrazol4yl)methyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((methyl((135trimethylpyrazol4yl)methyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H30N4O2S2c162720(26)1815108791117(15)2919(18)2221(28)24(4)121613(2)2325(5)14(16)3h612H215H3(H2228)
MFCD03945429
ZINC000017099187
ZINC17099187
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