Vitas-M small molecule compound
2-({4-bromo-2-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK113500
SMILES CCCC1=NN(C(=O)/C/1=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1
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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 C27H22BrN3O2 MW 500.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22BrN3O2/c1-2-8-25-24(27(32)31(30-25)23-11-4-3-5-12-23)16-21-15-22(28)13-14-26(21)33-18-20-10-7-6-9-19(20)17-29/h3-7,9-16H,2,8,18H2,1H3/b24-16+InChIKey
BFVVGAIGKPVVOC-LFVJCYFKSA-NSynonyms
2((4BROMO2((E)(5OXO1PHENYL3PROPYL15DIHYDRO4HPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4BROMO2((E)(5OXO1PHENYL3PROPYLPYRAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CCCC1=NN(C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1
CCCC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3C#N)C4=CC=CC=C4
InChI=1SC27H22BrN3O2c1282524(27(32)31(3025)23114351223)16211522(28)131426(21)3318201076919(20)1729h37916H2818H21H3b2416+
MFCD04127322
ZINC000100319260
ZINC100319260
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