Vitas-M small molecule compound

methyl 2-{[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5-dimethoxybenzoate

Catalog ID
STK316755
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)c1nn(c(c1Br)C)C)OC

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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 C16H18BrN3O5 MW 412.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN3O5/c1-8-13(17)14(19-20(8)2)15(21)18-10-7-12(24-4)11(23-3)6-9(10)16(22)25-5/h6-7H,1-5H3,(H,18,21)
InChIKey
BWETVTMIQAJVMB-UHFFFAOYSA-N
Synonyms
515123-58-7
515123587
CC1=C(C(=NN1C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)Br
InChI=1SC16H18BrN3O5c1813(17)14(1920(8)2)15(21)1810712(244)11(233)69(10)16(22)255h67H15H3(H1821)
methyl2(((4bromo15dimethyl1Hpyrazol3yl)carbonyl)amino)45dimethoxybenzoate
METHYL2((4BROMO15DIMETHYLPYRAZOLE3CARBONYL)AMINO)45DIMETHOXYBENZOATE
MFCD03072139
ZINC000002763200
ZINC02763200
ZINC2763200

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Available files

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