Vitas-M small molecule compound
4-chloro-3-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoic acid
Catalog ID
STK177620
SMILES O=C1N(C)C(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)C(=O)N1C
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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 C18H13ClN2O6 MW 388.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClN2O6/c1-20-15(22)12(16(23)21(2)18(20)26)8-10-4-6-14(27-10)11-7-9(17(24)25)3-5-13(11)19/h3-8H,1-2H3,(H,24,25)InChIKey
RZFBKLDJSRWSKC-UHFFFAOYSA-NSynonyms
4CHLORO3(5((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4CHLORO3(5((13DIMETHYL246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)C(=O)O)Cl)C(=O)N(C1=O)C
InChI=1SC18H13ClN2O6c12015(22)12(16(23)21(2)18(20)26)8104614(2710)1179(17(24)25)3513(11)19h38H12H3(H2425)
MFCD02194867
ZINC000004704647
ZINC4704647
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