Vitas-M small molecule compound
2-[(4-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK028177
SMILES N#Cc1ccccc1COc1ccc(cc1)/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 C25H16BrN3O4 MW 502.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16BrN3O4/c26-19-7-9-20(10-8-19)29-24(31)22(23(30)28-25(29)32)13-16-5-11-21(12-6-16)33-15-18-4-2-1-3-17(18)14-27/h1-13H,15H2,(H,28,30,32)/b22-13+InChIKey
VVOCDBYOECBYEN-LPYMAVHISA-NSynonyms
2((4((1(4BROMOPHENYL)246TRIOXO13DIHYDROPYRIMIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((4((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((4((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C#N
InChI=1SC25H16BrN3O4c26197920(10819)2924(31)22(23(30)2825(29)32)131651121(12616)331518421317(18)1427h113H15H2(H283032)b2213+
MFCD02044562
N#Cc1ccccc1COc1ccc(cc1)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Br
STK028177
ZINC000009136713
ZINC09136713
ZINC9136713
Check stock
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Check stock on Vitas-MAvailable files
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