Vitas-M small molecule compound
3-({(1Z)-1-[1-(4-chlorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]ethyl}amino)benzoic acid
Catalog ID
STL040581
SMILES Clc1ccc(cc1)N1C(=O)N=C(/C(=C(/Nc2cccc(c2)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 C19H14ClN3O5 MW 399.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN3O5/c1-10(21-13-4-2-3-11(9-13)18(26)27)15-16(24)22-19(28)23(17(15)25)14-7-5-12(20)6-8-14/h2-9,21H,1H3,(H,26,27)(H,22,24,28)/b15-10-InChIKey
QEWYDTSREWJLLN-GDNBJRDFSA-NSynonyms
3(((1Z)1(1(4CHLOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)ETHYL)AMINO)BENZOICACID
3(((1Z)1(1(4chlorophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)ethyl)amino)benzoicacid
CC(=C1C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)NC3=CC=CC(=C3)C(=O)O
Clc1ccc(cc1)N1C(=O)N=C(C(=C(Nc2cccc(c2)C(=O)O)C)C1=O)O
InChI=1SC19H14ClN3O5c110(211342311(913)18(26)27)1516(24)2219(28)23(17(15)25)147512(20)6814h2921H1H3(H2627)(H222428)b1510
MFCD05724889
ZINC000001274882
ZINC1274882
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