Vitas-M small molecule compound
methyl 2-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK301358
SMILES CCn1cc(c(n1)C(=O)NC(=S)Nc1sc2c(c1C(=O)OC)CCCC2)Br
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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/c1-3-22-8-10(18)13(21-22)14(23)19-17(26)20-15-12(16(24)25-2)9-6-4-5-7-11(9)27-15/h8H,3-7H2,1-2H3,(H2,19,20,23,26)InChIKey
QFVOHUKITFXUAR-UHFFFAOYSA-NSynonyms
492425-77-1492425771
CCN1C=C(C(=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br
InChI=1SC17H19BrN4O3S2c1322810(18)13(2122)14(23)1917(26)201512(16(24)252)9645711(9)2715h8H37H212H3(H219202326)
methyl2((((4bromo1ethyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4bromo1ethylpyrazole3carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
MFCD02605084
ZINC000000648006
ZINC00648006
ZINC648006
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