Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(2-chloro-6-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK619625
SMILES O=C1/C(=C/c2c(F)cccc2Cl)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[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 C22H21ClFNO3 MW 401.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFNO3/c23-17-6-5-7-18(24)15(17)12-20-21(27)14-8-9-19(26)16(22(14)28-20)13-25-10-3-1-2-4-11-25/h5-9,12,26H,1-4,10-11,13H2/b20-12-InChIKey
XGFCVJGPZUSIRA-NDENLUEZSA-NSynonyms
929835-18-7929835187
MFCD09798859
O=C1C(=Cc2c(F)cccc2Cl)Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000009484833
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