Vitas-M small molecule compound
(2Z)-2-(2,3-dimethoxybenzylidene)-4-methyl-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853620
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)c(C)cc(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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-14-11-17(25)16(13-24-9-4-5-10-24)23-20(14)21(26)19(29-23)12-15-7-6-8-18(27-2)22(15)28-3/h6-8,11-12,25H,4-5,9-10,13H2,1-3H3/b19-12-InChIKey
UKUUBVMJDVTPEY-UNOMPAQXSA-NSynonyms
903584-80-5(2Z)2(23dimethoxybenzylidene)4methyl3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
903584805
CC1=CC(=C(C2=C1C(=O)C(=CC3=C(C(=CC=C3)OC)OC)O2)CN4CCCC4)O
COc1c(cccc1OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCCC1)(O)
InChI=1SC23H25NO5c1141117(25)16(13249451024)2320(14)21(26)19(2923)121576818(272)22(15)283h68111225H4591013H213H3b1912
MFCD08292708
ZINC000020591381
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