Vitas-M small molecule compound
(2Z)-2-(furan-2-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK576052
SMILES [O-]c1ccc2c(c1C[NH+]1CCOCC1)O/C(=C\c1ccco1)/C2=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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c20-15-4-3-13-17(21)16(10-12-2-1-7-23-12)24-18(13)14(15)11-19-5-8-22-9-6-19/h1-4,7,10,20H,5-6,8-9,11H2/b16-10-InChIKey
PCYJGOKGBOZYRM-YBEGLDIGSA-NSynonyms
896828-74-3(2Z)2(FURAN2YLMETHYLIDENE)6HYDROXY7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2(furan2ylmethylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(O)c1ccc2c(c1C(NH+)1CCOCC1)OC(=Cc1ccco1)C2=O
2(2FURYLMETHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC=CO4)C3=O)O
InChI=1SC18H17NO5c2015431317(21)16(10122172312)2418(13)14(15)111958229619h1471020H568911H2b1610
MFCD06599476
ZINC000002218948
ZINC02218948
ZINC2218948
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