Vitas-M small molecule compound
methyl 2-({[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK457950
SMILES CCn1nc(c(c1)C(NC(=S)Nc1sc2c(c1C(=O)OC)CCCCC2)C)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 C20H28N4O2S2 MW 420.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N4O2S2/c1-5-24-11-15(13(3)23-24)12(2)21-20(27)22-18-17(19(25)26-4)14-9-7-6-8-10-16(14)28-18/h11-12H,5-10H2,1-4H3,(H2,21,22,27)InChIKey
HQYXROFYKYUJNE-UHFFFAOYSA-NSynonyms
CCN1C=C(C(=N1)C)C(C)NC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC
InChI=1SC20H28N4O2S2c15241115(13(3)2324)12(2)2120(27)221817(19(25)264)1497681016(14)2818h1112H510H214H3(H2212227)
methyl2(((1(1ethyl3methyl1Hpyrazol4yl)ethyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
methyl2(1(1ethyl3methylpyrazol4yl)ethylcarbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
MFCD05064780
ZINC000005041454
ZINC000005041455
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