Vitas-M small molecule compound
methyl 4-(5-{(E)-[1-(3-chloro-4-methylphenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK565265
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)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 C24H17ClN2O6 MW 464.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17ClN2O6/c1-13-3-8-16(11-19(13)25)27-22(29)18(21(28)26-24(27)31)12-17-9-10-20(33-17)14-4-6-15(7-5-14)23(30)32-2/h3-12H,1-2H3,(H,26,28,31)/b18-12+InChIKey
AZLPFBYXPMKTOB-LDADJPATSA-NSynonyms
674352-26-2674352262
CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)OC)C(=O)NC2=O)Cl
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=NC(=O)N(C1=O)c1ccc(c(c1)Cl)C)O
InChI=1SC24H17ClN2O6c1133816(1119(13)25)2722(29)18(21(28)2624(27)31)121791020(3317)144615(7514)23(30)322h312H12H3(H262831)b1812+
METHYL4(5((E)(1(3CHLORO4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
methyl4(5((E)(1(3chloro4methylphenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
MFCD04073352
ZINC000002335025
ZINC2335025
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