Vitas-M small molecule compound
4-[(1E)-2-cyano-3-ethoxy-3-oxoprop-1-en-1-yl]phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Catalog ID
STK758407
SMILES CCOC(=O)/C(=C/c1ccc(cc1)OC(=O)c1nn(cc1Br)C)/C#N
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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 C17H14BrN3O4 MW 404.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O4/c1-3-24-16(22)12(9-19)8-11-4-6-13(7-5-11)25-17(23)15-14(18)10-21(2)20-15/h4-8,10H,3H2,1-2H3/b12-8+InChIKey
UARODMAYOBHXKW-XYOKQWHBSA-NSynonyms
(4((E)2CYANO3ETHOXY3OXOPROP1ENYL)PHENYL)4BROMO1METHYLPYRAZOLE3CARBOXYLATE
4((1E)2cyano3ethoxy3oxoprop1en1yl)phenyl4bromo1methyl1Hpyrazole3carboxylate
CCOC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=NN(C=C2Br)C)C#N
CCOC(=O)C(=Cc1ccc(cc1)OC(=O)c1nn(cc1Br)C)C#N
InChI=1SC17H14BrN3O4c132416(22)12(919)8114613(7511)2517(23)1514(18)1021(2)2015h4810H3H212H3b128+
MFCD01414610
ZINC000001060639
ZINC01060639
ZINC1060639
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