Vitas-M small molecule compound
4-({2,6-dichloro-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenoxy}methyl)benzoic acid
Catalog ID
STK170455
SMILES O=C1NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C(=O)O)C(=O)N1
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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 C19H12Cl2N2O6 MW 435.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12Cl2N2O6/c20-13-6-10(5-12-16(24)22-19(28)23-17(12)25)7-14(21)15(13)29-8-9-1-3-11(4-2-9)18(26)27/h1-7H,8H2,(H,26,27)(H2,22,23,24,25,28)InChIKey
NQOFIAXXUFWNHZ-UHFFFAOYSA-NSynonyms
4((26DICHLORO4((246TRIOXO(13DIHYDROPYRIMIDIN5YLIDENE))METHYL)PHENOXY)METHYL)BENZOICACID
4((26DICHLORO4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DICHLORO4((246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DICHLORO4((246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
C1=CC(=CC=C1COC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=O)NC3=O)Cl)C(=O)O
InChI=1SC19H12Cl2N2O6c2013610(51216(24)2219(28)2317(12)25)714(21)15(13)29891311(429)18(26)27h17H8H2(H2627)(H22223242528)
MFCD02085070
ZINC000002903820
ZINC2903820
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