Vitas-M small molecule compound

ethyl 4-({[2-(4-bromo-1H-pyrazol-1-yl)ethyl]carbamothioyl}amino)benzoate

Catalog ID
STK311342
SMILES CCOC(=O)c1ccc(cc1)NC(=S)NCCn1ncc(c1)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 C15H17BrN4O2S MW 397.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17BrN4O2S/c1-2-22-14(21)11-3-5-13(6-4-11)19-15(23)17-7-8-20-10-12(16)9-18-20/h3-6,9-10H,2,7-8H2,1H3,(H2,17,19,23)
InChIKey
BELQYZUTSNWFDE-UHFFFAOYSA-N
Synonyms
957484-66-1
957484661
CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2C=C(C=N2)Br
ethyl4(((2(4bromo1Hpyrazol1yl)ethyl)carbamothioyl)amino)benzoate
ETHYL4(2(4BROMOPYRAZOL1YL)ETHYLCARBAMOTHIOYLAMINO)BENZOATE
InChI=1SC15H17BrN4O2Sc122214(21)113513(6411)1915(23)1778201012(16)91820h36910H278H21H3(H2171923)
MFCD04137561
ZINC000002809114
ZINC02809114
ZINC2809114

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Available files

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