Vitas-M small molecule compound
4-[(E)-{2-[4-(acetylamino)phenyl]-5-oxo-1,3-oxazol-4(5H)-ylidene}methyl]-2-iodo-6-methoxyphenyl acetate
Catalog ID
STL431715
SMILES COc1cc(/C=C\2/N=C(OC2=O)c2ccc(cc2)NC(=O)C)cc(c1OC(=O)C)I
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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 C21H17IN2O6 MW 520.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17IN2O6/c1-11(25)23-15-6-4-14(5-7-15)20-24-17(21(27)30-20)9-13-8-16(22)19(29-12(2)26)18(10-13)28-3/h4-10H,1-3H3,(H,23,25)/b17-9+InChIKey
VGLPKRLNBRKXQU-RQZCQDPDSA-NSynonyms
(4((E)(2(4acetamidophenyl)5oxo13oxazol4ylidene)methyl)2iodo6methoxyphenyl)acetate
4((E)(2(4(acetylamino)phenyl)5oxo13oxazol4(5H)ylidene)methyl)2iodo6methoxyphenylacetate
CC(=O)NC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C(=C3)I)OC(=O)C)OC)C(=O)O2
COc1cc(C=C2N=C(OC2=O)c2ccc(cc2)NC(=O)C)cc(c1OC(=O)C)I
InChI=1SC21H17IN2O6c111(25)23156414(5715)202417(21(27)3020)913816(22)19(2912(2)26)18(1013)283h410H13H3(H2325)b179+
MFCD01446227
ZINC000100164347
ZINC100164347
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