Vitas-M small molecule compound
(5E)-1-(4-bromo-3-methylphenyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170897
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)Br)cc(c1O)[N+](=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 C19H14BrN3O7 MW 476.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrN3O7/c1-9-5-11(3-4-13(9)20)22-18(26)12(17(25)21-19(22)27)6-10-7-14(23(28)29)16(24)15(8-10)30-2/h3-8,24H,1-2H3,(H,21,25,27)/b12-6+InChIKey
IXSRHCIDIGHJTB-WUXMJOGZSA-NSynonyms
(5E)1(4BROMO3METHYLPHENYL)5((4HYDROXY3METHOXY5NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(4BROMO3METHYLPHENYL)5(4HYDROXY3METHOXY5NITROBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE
CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)(N+)(=O)(O))C(=O)NC2=O)Br
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc(c(c2)C)Br)cc(c1O)(N+)(=O)(O)
InChI=1SC19H14BrN3O7c19511(3413(9)20)2218(26)12(17(25)2119(22)27)610714(23(28)29)16(24)15(810)302h3824H12H3(H212527)b126+
MFCD02214916
ZINC000013546417
ZINC13546417
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