Vitas-M small molecule compound
methyl 3-{[(2E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino}benzoate
Catalog ID
STL120245
SMILES COC(=O)c1cccc(c1)NC(=O)/C=C/c1oc2c(c1)cc(cc2OC)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 C20H16ClNO5 MW 385.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO5/c1-25-17-11-14(21)8-13-10-16(27-19(13)17)6-7-18(23)22-15-5-3-4-12(9-15)20(24)26-2/h3-11H,1-2H3,(H,22,23)/b7-6+InChIKey
LTYPDNWAVCMIIJ-VOTSOKGWSA-NSynonyms
COC(=O)c1cccc(c1)NC(=O)C=Cc1oc2c(c1)cc(cc2OC)Cl
COC1=C2C(=CC(=C1)Cl)C=C(O2)C=CC(=O)NC3=CC=CC(=C3)C(=O)OC
InChI=1SC20H16ClNO5c125171114(21)8131016(2719(13)17)6718(23)221553412(915)20(24)262h311H12H3(H2223)b76+
methyl3(((2E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)benzoate
methyl3(((E)3(5chloro7methoxy1benzofuran2yl)prop2enoyl)amino)benzoate
MFCD20753347
ZINC000067339920
ZINC67339920
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