Vitas-M small molecule compound
(2Z)-2-(2-methylbenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK588575
SMILES O=C1/C(=C/c2ccccc2C)/Oc2c1ccc(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/c1-14-4-2-3-5-15(14)12-19-20(24)16-6-7-18(23)17(21(16)26-19)13-22-8-10-25-11-9-22/h2-7,12,23H,8-11,13H2,1H3/b19-12-InChIKey
AODYTJVTQOPFMK-UNOMPAQXSA-NSynonyms
896828-82-3(2Z)2(2methylbenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCOCC4
InChI=1SC21H21NO4c114423515(14)121920(24)166718(23)17(21(16)2619)13228102511922h271223H81113H21H3b1912
MFCD06598945
O=C1C(=Cc2ccccc2C)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000013815662
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