Vitas-M small molecule compound
2-[(2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK558778
SMILES N#Cc1ccccc1COc1c(Cl)cc(cc1Cl)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
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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 C25H14Cl2FN3O4 MW 510.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H14Cl2FN3O4/c26-20-10-14(11-21(27)22(20)35-13-16-4-2-1-3-15(16)12-29)9-19-23(32)30-25(34)31(24(19)33)18-7-5-17(28)6-8-18/h1-11H,13H2,(H,30,32,34)/b19-9+InChIKey
UKFRXDSFYRYLDF-DJKKODMXSA-NSynonyms
340304-87-22((26DICHLORO4((E)(1(4FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((26dichloro4((E)(1(4fluorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzonitrile
340304872
C1=CC=C(C(=C1)COC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)C#N
InChI=1SC25H14Cl2FN3O4c26201014(1121(27)22(20)351316421315(16)1229)91923(32)3025(34)31(24(19)33)187517(28)6818h111H13H2(H303234)b199+
MFCD04078021
N#Cc1ccccc1COc1c(Cl)cc(cc1Cl)C=C1C(=NC(=O)N(C1=O)c1ccc(cc1)F)O
ZINC000002262693
ZINC2262693
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