Vitas-M small molecule compound
4-({2-bromo-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STK609520
SMILES N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)/C=C/c1nc(O)nc(c1[N+](=O)[O-])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 C21H15BrN4O6 MW 499.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O6/c1-31-17-9-14(6-7-16-18(26(29)30)20(27)25-21(28)24-16)8-15(22)19(17)32-11-13-4-2-12(10-23)3-5-13/h2-9H,11H2,1H3,(H2,24,25,27,28)/b7-6+InChIKey
ZTXIFELEUXAYJX-VOTSOKGWSA-NSynonyms
701942-46-34((2bromo4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)6methoxyphenoxy)methyl)benzonitrile
4((2BROMO6METHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)METHYL)BENZONITRILE
701942463
COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))Br)OCC3=CC=C(C=C3)C#N
InChI=1SC21H15BrN4O6c13117914(671618(26(29)30)20(27)2521(28)2416)815(22)19(17)3211134212(1023)3513h29H11H21H3(H224252728)b76+
MFCD08731885
N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
ZINC000008914351
ZINC8914351
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