Vitas-M small molecule compound

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK575489
SMILES O=C1/C(=C/c2ccc3c(c2)OCO3)/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 C21H19NO6 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6/c23-16-3-2-14-20(24)19(10-13-1-4-17-18(9-13)27-12-26-17)28-21(14)15(16)11-22-5-7-25-8-6-22/h1-4,9-10,23H,5-8,11-12H2/b19-10-
InChIKey
FYIRTWZTWUHQFV-GRSHGNNSSA-N
Synonyms
900272-30-2
(2Z)2(13BENZODIOXOL5YLMETHYLIDENE)6HYDROXY7(MORPHOLIN4YLMETHYL)1BENZOFURAN3ONE
(2Z)2(13benzodioxol5ylmethylidene)7(morpholin4ium4ylmethyl)3oxo1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)7(morpholin4ium4ylmethyl)3oxo23dihydro1benzofuran6olate
2(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)6HYDROXY7(MORPHOLIN4YLMETHYL)BENZO(B)FURAN3ONE
C1COCC(NH+)1CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)(O)
InChI=1SC21H19NO6c2316321420(24)19(1013141718(913)27122617)2821(14)15(16)112257258622h1491023H581112H2b1910
MFCD06611903
O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc(c2C(NH+)1CCOCC1)(O)
ZINC000002355170
ZINC02355170
ZINC2355170

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Available files

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