Vitas-M small molecule compound
(2Z)-2-(3-methylbenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK593814
SMILES Cc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCOCC1)[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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-14-3-2-4-15(11-14)12-19-20(24)16-5-6-18(23)17(21(16)26-19)13-22-7-9-25-10-8-22/h2-6,11-12,23H,7-10,13H2,1H3/b19-12-InChIKey
JOMBQOMDXXPTPD-UNOMPAQXSA-NSynonyms
896805-59-7(2Z)2((3methylphenyl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2(3methylbenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCOCC4
Cc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC21H21NO4c11432415(1114)121920(24)165618(23)17(21(16)2619)1322792510822h26111223H71013H21H3b1912
MFCD06595180
ZINC000013814127
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