Vitas-M small molecule compound
(2Z)-3-oxo-2-[4-(propan-2-yl)benzylidene]-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626437
SMILES CC(c1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCC1)[O-])C
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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 C23H25NO3 MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO3/c1-15(2)17-7-5-16(6-8-17)13-21-22(26)18-9-10-20(25)19(23(18)27-21)14-24-11-3-4-12-24/h5-10,13,15,25H,3-4,11-12,14H2,1-2H3/b21-13-InChIKey
GCLSXEBXAMIOTQ-BKUYFWCQSA-NSynonyms
929397-70-6(2Z)3oxo2(4(propan2yl)benzylidene)7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6HYDROXY2((4PROPAN2YLPHENYL)METHYLIDENE)7(PYRROLIDIN1YLMETHYL)1BENZOFURAN3ONE
6HYDROXY2((4(METHYLETHYL)PHENYL)METHYLENE)7(PYRROLIDINYLMETHYL)BENZO(B)FURAN3ONE
CC(c1ccc(cc1)C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCC1)(O))C
MFCD06692062
ZINC000020649409
ZINC20649409
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