Vitas-M small molecule compound
(2Z)-2-(3-methoxybenzylidene)-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK857124
SMILES COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[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/c1-25-15-6-4-5-14(11-15)12-19-20(24)16-7-8-18(23)17(21(16)26-19)13-22-9-2-3-10-22/h4-8,11-12,23H,2-3,9-10,13H2,1H3/b19-12-InChIKey
MEDDYUWKQFVNNZ-UNOMPAQXSA-NSynonyms
929433-23-8(2Z)2((3methoxyphenyl)methylidene)3oxo7(pyrrolidin1ium1ylmethyl)1benzofuran6olate
(2Z)2(3methoxybenzylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
929433238
COC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)(O))C(NH+)4CCCC4
COc1cccc(c1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O)
InChI=1SC21H21NO4c1251564514(1115)121920(24)167818(23)17(21(16)2619)13229231022h48111223H2391013H21H3b1912
MFCD09794527
ZINC000009530637
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