Vitas-M small molecule compound
4-({(1E)-1-[4-hydroxy-1-(4-methylphenyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoic acid
Catalog ID
STL050963
SMILES Cc1ccc(cc1)N1C(=O)N=C(/C(=C(\Nc2ccc(cc2)C(=O)O)/C)/C1=O)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 C20H17N3O5 MW 379.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O5/c1-11-3-9-15(10-4-11)23-18(25)16(17(24)22-20(23)28)12(2)21-14-7-5-13(6-8-14)19(26)27/h3-10,21H,1-2H3,(H,26,27)(H,22,24,28)/b16-12+InChIKey
AZTHLLPOPSFZDP-FOWTUZBSSA-NSynonyms
4(((1E)1(1(4METHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)ETHYL)AMINO)BENZOICACID
4(((1E)1(4hydroxy1(4methylphenyl)26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)amino)benzoicacid
CC1=CC=C(C=C1)N2C(=O)C(=C(C)NC3=CC=C(C=C3)C(=O)O)C(=O)NC2=O
Cc1ccc(cc1)N1C(=O)N=C(C(=C(Nc2ccc(cc2)C(=O)O)C)C1=O)O
InChI=1SC20H17N3O5c1113915(10411)2318(25)16(17(24)2220(23)28)12(2)21147513(6814)19(26)27h31021H12H3(H2627)(H222428)b1612+
MFCD05728877
ZINC000001249669
ZINC1249669
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