Vitas-M small molecule compound
(2-chloro-4-{(E)-[1-(4-ethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-6-methoxyphenoxy)acetic acid
Catalog ID
STK175230
SMILES CCc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(Cl)c(c(c2)OC)OCC(=O)O)/C1=O
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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/c1-3-12-4-6-14(7-5-12)25-21(29)15(20(28)24-22(25)30)8-13-9-16(23)19(17(10-13)31-2)32-11-18(26)27/h4-10H,3,11H2,1-2H3,(H,26,27)(H,24,28,30)/b15-8+InChIKey
BVKMFBLZEPCEHG-OVCLIPMQSA-NSynonyms
(2CHLORO4((E)(1(4ETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
2(2CHLORO4((E)(1(4ETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)6METHOXYPHENOXY)ACETICACID
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC(=O)O)OC)C(=O)NC2=O
CCc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(Cl)c(c(c2)OC)OCC(=O)O)C1=O
InChI=1SC22H19ClN2O7c13124614(7512)2521(29)15(20(28)2422(25)30)813916(23)19(17(1013)312)321118(26)27h410H311H212H3(H2627)(H242830)b158+
MFCD04490676
ZINC000003463124
ZINC3463124
Check stock
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Check stock on Vitas-MAvailable files
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