Vitas-M small molecule compound
methyl 3-({(1Z)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoate
Catalog ID
STK594306
SMILES COC(=O)c1cccc(c1)N/C(=C\1/C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)/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 C21H19N3O5 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O5/c1-12-7-9-16(10-8-12)24-19(26)17(18(25)23-21(24)28)13(2)22-15-6-4-5-14(11-15)20(27)29-3/h4-11,22H,1-3H3,(H,23,25,28)/b17-13-InChIKey
IMDXXMQFXRHFMT-LGMDPLHJSA-NSynonyms
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NC3=CC=CC(=C3)C(=O)OC)C(=O)NC2=O
COC(=O)c1cccc(c1)NC(=C1C(=NC(=O)N(C1=O)c1ccc(cc1)C)O)C
InChI=1SC21H19N3O5c1127916(10812)2419(26)17(18(25)2321(24)28)13(2)221564514(1115)20(27)293h41122H13H3(H232528)b1713
METHYL3(((1Z)1(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)ETHYL)AMINO)BENZOATE
methyl3(((1Z)1(4hydroxy1(4methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)amino)benzoate
MFCD07209253
ZINC000009014140
ZINC09014140
ZINC9014140
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