Vitas-M small molecule compound
(5E)-5-(3-chloro-4-ethoxy-5-methoxybenzylidene)-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK176366
SMILES CCOc1c(Cl)cc(cc1OC)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)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 C21H19ClN2O5 MW 414.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O5/c1-4-29-18-16(22)10-13(11-17(18)28-3)9-15-19(25)23-21(27)24(20(15)26)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H,23,25,27)/b15-9+InChIKey
JBIQBDXZGCTYIO-OQLLNIDSSA-NSynonyms
(5E)5((3CHLORO4ETHOXY5METHOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(3CHLORO4ETHOXY5METHOXYBENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
CCOC1=C(C=C(C=C1Cl)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)OC
CCOc1c(Cl)cc(cc1OC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChI=1SC21H19ClN2O5c14291816(22)1013(1117(18)283)91519(25)2321(27)24(20(15)26)147512(2)6814h511H4H213H3(H232527)b159+
MFCD02108460
ZINC000001213805
ZINC01213805
ZINC1213805
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