Vitas-M small molecule compound
methyl 2-({[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK967725
SMILES COC(=O)c1c(NC(=S)NC(=O)c2n(C)nc(c2Br)C)sc2c1CCCC2
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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 C17H19BrN4O3S2 MW 471.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O3S2/c1-8-12(18)13(22(2)21-8)14(23)19-17(26)20-15-11(16(24)25-3)9-6-4-5-7-10(9)27-15/h4-7H2,1-3H3,(H2,19,20,23,26)InChIKey
NOULEESARYHYKY-UHFFFAOYSA-NSynonyms
515874-54-1515874541
CC1=NN(C(=C1Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C
InChI=1SC17H19BrN4O3S2c1812(18)13(22(2)218)14(23)1917(26)201511(16(24)253)9645710(9)2715h47H213H3(H219202326)
methyl2((((4bromo13dimethyl1Hpyrazol5yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4bromo25dimethylpyrazole3carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD02609458
ZINC000001003271
ZINC01003271
ZINC1003271
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