Vitas-M small molecule compound
(5E)-1-(2,4-dimethylphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK552398
SMILES COc1ccc(cc1[N+](=O)[O-])/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1C)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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c1-11-4-6-15(12(2)8-11)22-19(25)14(18(24)21-20(22)26)9-13-5-7-17(29-3)16(10-13)23(27)28/h4-10H,1-3H3,(H,21,24,26)/b14-9+InChIKey
STFNUNQVEGMSCG-NTEUORMPSA-NSynonyms
537020-74-9(5E)1(24DIMETHYLPHENYL)5((4METHOXY3NITROPHENYL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(24dimethylphenyl)5(4methoxy3nitrobenzylidene)pyrimidine246(1H3H5H)trione
(E)1(24dimethylphenyl)5(4methoxy3nitrobenzylidene)pyrimidine246(1H3H5H)trione
537020749
CC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)(N+)(=O)(O))C(=O)NC2=O)C
COc1ccc(cc1(N+)(=O)(O))C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1C)C
InChI=1SC20H17N3O6c1114615(12(2)811)2219(25)14(18(24)2120(22)26)9135717(293)16(1013)23(27)28h410H13H3(H212426)b149+
MFCD03618225
ZINC000013570529
ZINC13570529
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