Vitas-M small molecule compound
(2E)-2-[(1-methyl-1H-pyrrol-2-yl)methylidene]-6-[(3-oxobutan-2-yl)oxy]-1-benzofuran-3(2H)-one
Catalog ID
STL496502
SMILES CC(=O)C(Oc1ccc2c(c1)O/C(=C/c1cccn1C)/C2=O)C
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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 C18H17NO4 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4/c1-11(20)12(2)22-14-6-7-15-16(10-14)23-17(18(15)21)9-13-5-4-8-19(13)3/h4-10,12H,1-3H3/b17-9+InChIKey
BFXOVIYCFRCNST-RQZCQDPDSA-NSynonyms
1676104-91-8(2E)2((1methyl1Hpyrrol2yl)methylidene)6((3oxobutan2yl)oxy)1benzofuran3(2H)one
(2E)2((1methylpyrrol2yl)methylidene)6(3oxobutan2yloxy)1benzofuran3one
(E)2((1methyl1Hpyrrol2yl)methylene)6((3oxobutan2yl)oxy)benzofuran3(2H)one
102564773
1676104918
CC(=O)C(Oc1ccc2c(c1)OC(=Cc1cccn1C)C2=O)C
InChI=1SC18H17NO4c111(20)12(2)2214671516(1014)2317(18(15)21)91354819(13)3h41012H13H3b179+
MFCD28985669
ZINC000218025836
ZINC000218025918
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