Vitas-M small molecule compound
ethyl 2-({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK317713
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2n(C)nc(c2Br)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 C19H23BrN4O3S2 MW 499.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23BrN4O3S2/c1-4-27-18(26)13-11-8-6-5-7-9-12(11)29-17(13)22-19(28)21-16(25)15-14(20)10(2)23-24(15)3/h4-9H2,1-3H3,(H2,21,22,25,28)InChIKey
DHRYRJCWAMMPBG-UHFFFAOYSA-NSynonyms
494217-90-2494217902
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=C(C(=NN3C)C)Br
ethyl2((((4bromo13dimethyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((4bromo25dimethylpyrazole3carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC19H23BrN4O3S2c142718(26)13118657912(11)2917(13)2219(28)2116(25)1514(20)10(2)2324(15)3h49H213H3(H221222528)
MFCD02608873
ZINC000000649486
ZINC00649486
ZINC649486
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