Vitas-M small molecule compound
2-chloro-5-{[(E)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzoic acid
Catalog ID
STK387765
SMILES O=C1NC(=O)N(C(=O)/C/1=C/Nc1ccc(c(c1)C(=O)O)Cl)c1ccccc1
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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 C18H12ClN3O5 MW 385.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5/c19-14-7-6-10(8-12(14)17(25)26)20-9-13-15(23)21-18(27)22(16(13)24)11-4-2-1-3-5-11/h1-9,20H,(H,25,26)(H,21,23,27)/b13-9+InChIKey
ZZJVXFBBYFBCOO-UKTHLTGXSA-NSynonyms
2CHLORO5(((E)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)AMINO)BENZOICACID
2CHLORO5(((E)(246TRIOXO1PHENYLTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)AMINO)BENZOICACID
C1=CC=C(C=C1)N2C(=O)C(=CNC3=CC(=C(C=C3)Cl)C(=O)O)C(=O)NC2=O
InChI=1SC18H12ClN3O5c19147610(812(14)17(25)26)2091315(23)2118(27)22(16(13)24)114213511h1920H(H2526)(H212327)b139+
MFCD03031318
O=C1NC(=O)N(C(=O)C1=CNc1ccc(c(c1)C(=O)O)Cl)c1ccccc1
ZINC000100261466
ZINC100261466
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