Vitas-M small molecule compound
2-[(4-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-methoxyphenoxy)methyl]benzonitrile
Catalog ID
STK176808
SMILES COc1cc(ccc1OCc1ccccc1C#N)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C26H18BrN3O5 MW 532.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrN3O5/c1-34-23-13-16(6-11-22(23)35-15-18-5-3-2-4-17(18)14-28)12-21-24(31)29-26(33)30(25(21)32)20-9-7-19(27)8-10-20/h2-13H,15H2,1H3,(H,29,31,33)/b21-12+InChIKey
OFGRZAQYCQPCLB-CIAFOILYSA-NSynonyms
2((4((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
2((4((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2METHOXYPHENOXY)METHYL)BENZONITRILE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC4=CC=CC=C4C#N
COc1cc(ccc1OCc1ccccc1C#N)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
InChI=1SC26H18BrN3O5c134231316(61122(23)351518532417(18)1428)122124(31)2926(33)30(25(21)32)209719(27)81020h213H15H21H3(H293133)b2112+
MFCD01874089
ZINC000097960617
ZINC97960617
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