Vitas-M small molecule compound

(2Z)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK590493
SMILES O=C1/C(=C/c2ccncc2)/Oc2c1ccc(c2C[NH+]1CCOCC1)[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 C19H18N2O4 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O4/c22-16-2-1-14-18(23)17(11-13-3-5-20-6-4-13)25-19(14)15(16)12-21-7-9-24-10-8-21/h1-6,11,22H,7-10,12H2/b17-11-
InChIKey
MMNNJKQPIHSXQK-BOPFTXTBSA-N
Synonyms
896596-87-5
(2Z)6HYDROXY7(MORPHOLIN4YLMETHYL)2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7(morpholin4ium4ylmethyl)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6olate
6HYDROXY7(MORPHOLIN4YLMETHYL)2(4PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
C1COCCN1CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O
InChI=1SC19H18N2O4c2216211418(23)17(111335206413)2519(14)15(16)1221792410821h161122H71012H2b1711
MFCD06594033
O=C1C(=Cc2ccncc2)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000020503846
ZINC20503846

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Available files

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