Vitas-M small molecule compound
(2Z)-2-(2-methoxybenzylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK936074
SMILES COc1ccccc1/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 C21H21NO5 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO5/c1-25-18-5-3-2-4-14(18)12-19-20(24)15-6-7-17(23)16(21(15)27-19)13-22-8-10-26-11-9-22/h2-7,12,23H,8-11,13H2,1H3/b19-12-InChIKey
KYMDMVCYMCWPFC-UNOMPAQXSA-NSynonyms
869078-13-7(2Z)2((2methoxyphenyl)methylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2(2methoxybenzylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
(2Z)6HYDROXY2((2METHOXYPHENYL)METHYLIDENE)7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((2METHOXYPHENYL)METHYLENE)7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
869078137
COC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCOCC4
COc1ccccc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCOCC1)(O)
InChI=1SC21H21NO5c12518532414(18)121920(24)156717(23)16(21(15)2719)13228102611922h271223H81113H21H3b1912
MFCD06405780
ZINC000022625730
ZINC22625730
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