Vitas-M small molecule compound
2-[(2-bromo-4-{(E)-[1-(4-chlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK177012
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
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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 C25H15BrClN3O4 MW 536.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15BrClN3O4/c26-21-12-15(5-10-22(21)34-14-17-4-2-1-3-16(17)13-28)11-20-23(31)29-25(33)30(24(20)32)19-8-6-18(27)7-9-19/h1-12H,14H2,(H,29,31,33)/b20-11+InChIKey
MCGQYBRIEPGSIE-RGVLZGJSSA-NSynonyms
2((2BROMO4((E)(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2BROMO4((E)(1(4CHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)Br)C#N
InChI=1SC25H15BrClN3O4c26211215(51022(21)341417421316(17)1328)112023(31)2925(33)30(24(20)32)198618(27)7919h112H14H2(H293133)b2011+
MFCD01610380
N#Cc1ccccc1COc1ccc(cc1Br)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)Cl
ZINC000100192688
ZINC100192688
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