Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(3-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176594
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)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 C20H17N3O7 MW 411.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O7/c1-3-30-16-10-12(9-15(17(16)24)23(28)29)8-14-18(25)21-20(27)22(19(14)26)13-6-4-5-11(2)7-13/h4-10,24H,3H2,1-2H3,(H,21,25,27)/b14-8-InChIKey
LYTOMTSCDNDJLF-ZSOIEALJSA-NSynonyms
(5Z)5((3ETHOXY4HYDROXY5NITROPHENYL)METHYLIDENE)1(3METHYLPHENYL)13DIAZINANE246TRIONE
(5Z)5(3ETHOXY4HYDROXY5NITROBENZYLIDENE)1(3METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)cc(c1O)(N+)(=O)(O)
InChI=1SC20H17N3O7c1330161012(915(17(16)24)23(28)29)81418(25)2120(27)22(19(14)26)1364511(2)713h41024H3H212H3(H212527)b148
MFCD02212538
ZINC000002899813
ZINC2899813
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