Vitas-M small molecule compound

{2,6-dichloro-4-[(E)-{2,4,6-trioxo-1-[4-(propan-2-yl)phenyl]tetrahydropyrimidin-5(2H)-ylidene}methyl]phenoxy}acetic acid

Catalog ID
STK170865
SMILES OC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)C

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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 C22H18Cl2N2O6 MW 477.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18Cl2N2O6/c1-11(2)13-3-5-14(6-4-13)26-21(30)15(20(29)25-22(26)31)7-12-8-16(23)19(17(24)9-12)32-10-18(27)28/h3-9,11H,10H2,1-2H3,(H,27,28)(H,25,29,31)/b15-7+
InChIKey
NSRSKRPWSRSHFK-VIZOYTHASA-N
Synonyms

(26DICHLORO4((E)(246TRIOXO1(4(PROPAN2YL)PHENYL)TETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(26DICHLORO4((E)(4HYDROXY26DIOXO1(4(PROPAN2YL)PHENYL)16DIHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)ACETICACID
(E)2(26dichloro4((1(4isopropylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenoxy)aceticacid
2(26DICHLORO4((E)(246TRIOXO1(4PROPAN2YLPHENYL)13DIAZINAN5YLIDENE)METHYL)PHENOXY)ACETICACID
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)Cl)C(=O)NC2=O
InChI=1SC22H18Cl2N2O6c111(2)133514(6413)2621(30)15(20(29)2522(26)31)712816(23)19(17(24)912)321018(27)28h3911H10H212H3(H2728)(H252931)b157+
MFCD02085091
OC(=O)COc1c(Cl)cc(cc1Cl)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C(C)C
ZINC2304739

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Available files

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