Vitas-M small molecule compound

methyl 4-({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]carbamothioyl}amino)benzoate

Catalog ID
STK301378
SMILES COC(=O)c1ccc(cc1)NC(=S)NC(=O)c1nn(cc1Br)CC

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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 C15H15BrN4O3S MW 411.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrN4O3S/c1-3-20-8-11(16)12(19-20)13(21)18-15(24)17-10-6-4-9(5-7-10)14(22)23-2/h4-8H,3H2,1-2H3,(H2,17,18,21,24)
InChIKey
ZFJAXQZXOUWQPC-UHFFFAOYSA-N
Synonyms
512807-32-8
4(((((4BROMO1ETHYL3PYRAZOLYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)AMINO)BENZOICACIDMETHYLESTER
4((4BROMO1ETHYLPYRAZOLE3CARBONYL)THIOCARBAMOYLAMINO)BENZOICACIDMETHYLESTER
512807328
CCN1C=C(C(=N1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br
InChI=1SC15H15BrN4O3Sc1320811(16)12(1920)13(21)1815(24)1710649(5710)14(22)232h48H3H212H3(H217182124)
METHYL4(((((4BROMO1ETHYL1HPYRAZOL3YL)CARBONYL)AMINO)CARBOTHIOYL)AMINO)BENZOATE
methyl4((((4bromo1ethyl1Hpyrazol3yl)carbonyl)carbamothioyl)amino)benzoate
METHYL4((4BROMANYL1ETHYLPYRAZOL3YL)CARBONYLCARBAMOTHIOYLAMINO)BENZOATE
METHYL4((4BROMO1ETHYLPYRAZOLE3CARBONYL)CARBAMOTHIOYLAMINO)BENZOATE
MFCD02605311
ZINC000000648016
ZINC00648016
ZINC648016

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.