Vitas-M small molecule compound
4-[(E)-{2-[4-(acetylamino)phenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl]-2-chloro-6-ethoxyphenyl acetate
Catalog ID
STL431718
SMILES CCOc1cc(/C=C\2/N=C(OC2=O)c2ccc(cc2)NC(=O)C)cc(c1OC(=O)C)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 C22H19ClN2O6 MW 442.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN2O6/c1-4-29-19-11-14(9-17(23)20(19)30-13(3)27)10-18-22(28)31-21(25-18)15-5-7-16(8-6-15)24-12(2)26/h5-11H,4H2,1-3H3,(H,24,26)/b18-10+InChIKey
KIYTZLZCYUJLKX-VCHYOVAHSA-NSynonyms
(4((E)(2(4ACETAMIDOPHENYL)5OXO13OXAZOL4YLIDENE)METHYL)2CHLORO6ETHOXYPHENYL)ACETATE
4((E)(2(4(acetylamino)phenyl)5oxo13oxazol4(5H)ylidene)methyl)2chloro6ethoxyphenylacetate
CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)NC(=O)C)Cl)OC(=O)C
CCOc1cc(C=C2N=C(OC2=O)c2ccc(cc2)NC(=O)C)cc(c1OC(=O)C)Cl
InChI=1SC22H19ClN2O6c1429191114(917(23)20(19)3013(3)27)101822(28)3121(2518)155716(8615)2412(2)26h511H4H213H3(H2426)b1810+
MFCD02070646
ZINC000002137965
ZINC02137965
ZINC2137965
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