Vitas-M small molecule compound

(2-chloro-4-{(E)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid

Catalog ID
STK170686
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)O)Cl

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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 C22H19ClN2O7 MW 458.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O7/c1-11-4-12(2)6-14(5-11)25-21(29)15(20(28)24-22(25)30)7-13-8-16(23)19(17(9-13)31-3)32-10-18(26)27/h4-9H,10H2,1-3H3,(H,26,27)(H,24,28,30)/b15-7+
InChIKey
AETNDOWLBPFKLN-VIZOYTHASA-N
Synonyms
424807-57-8
(2CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
2(2CHLORO4((E)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
424807578
CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)C(=O)NC2=O)C
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)O)Cl
InChI=1SC22H19ClN2O7c111412(2)614(511)2521(29)15(20(28)2422(25)30)713816(23)19(17(913)313)321018(26)27h49H10H213H3(H2627)(H242830)b157+
MFCD03134770
ZINC000002784805
ZINC2784805

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Available files

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