Vitas-M small molecule compound
2-[(2-bromo-4-{(E)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK378868
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1)C
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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 C26H18BrN3O4 MW 516.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrN3O4/c1-16-5-4-8-20(11-16)30-25(32)21(24(31)29-26(30)33)12-17-9-10-23(22(27)13-17)34-15-19-7-3-2-6-18(19)14-28/h2-13H,15H2,1H3,(H,29,31,33)/b21-12+InChIKey
UKOUMGWNPTYNLZ-CIAFOILYSA-NSynonyms
2((2BROMO4((1(3METHYLPHENYL)246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENOXY)METHYL)BENZENECARBONITRILE
2((2BROMO4((E)(1(3METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2bromo4((E)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)methyl)benzonitrile
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br)C(=O)NC2=O
InChI=1SC26H18BrN3O4c11654820(1116)3025(32)21(24(31)2926(30)33)121791023(22(27)1317)341519732618(19)1428h213H15H21H3(H293133)b2112+
MFCD02067429
N#Cc1ccccc1COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)C
ZINC000008843206
ZINC08843206
ZINC8843206
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