Vitas-M small molecule compound

(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-3-oxo-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK622033
SMILES O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(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 C23H22N2O3 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3/c1-24-13-15(16-6-2-3-7-19(16)24)12-21-22(27)17-8-9-20(26)18(23(17)28-21)14-25-10-4-5-11-25/h2-3,6-9,12-13,26H,4-5,10-11,14H2,1H3/b21-12+
InChIKey
IAQUVVVSBLVTIS-CIAFOILYSA-N
Synonyms
929488-61-9
(2E)2((1methyl1Hindol3yl)methylidene)3oxo7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2E)6hydroxy2((1methylindol3yl)methylidene)7(pyrrolidin1ylmethyl)1benzofuran3one
929488619
CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCC5
InChI=1SC23H22N2O3c1241315(16623719(16)24)122122(27)178920(26)18(23(17)2821)142510451125h2369121326H45101114H21H3b2112+
MFCD09797646
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2C(NH+)1CCCC1)(O)
ZINC000020647625
ZINC20647625

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Available files

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