Vitas-M small molecule compound
methyl 4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzoate
Catalog ID
STK175231
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(cc2)C(=O)OC)/C1=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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-3-13-6-10-16(11-7-13)23-19(25)17(18(24)22-21(23)27)12-14-4-8-15(9-5-14)20(26)28-2/h4-12H,3H2,1-2H3,(H,22,24,27)/b17-12+InChIKey
JQBSNYJTHDPQBK-SFQUDFHCSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(cc2)C(=O)OC)C1=O
InChI=1SC21H18N2O5c131361016(11713)2319(25)17(18(24)2221(23)27)12144815(9514)20(26)282h412H3H212H3(H222427)b1712+
METHYL4((E)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)BENZOATE
METHYL4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)BENZOATE
MFCD04490295
ZINC000001161039
ZINC01161039
ZINC1161039
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