Vitas-M small molecule compound

(2Z)-7-(azepanium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856022
SMILES O=C1/C(=C/c2cc3c(o2)cccc3)/Oc2c1ccc(c2C[NH+]1CCCCCC1)[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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c26-20-10-9-18-23(27)22(14-17-13-16-7-3-4-8-21(16)28-17)29-24(18)19(20)15-25-11-5-1-2-6-12-25/h3-4,7-10,13-14,26H,1-2,5-6,11-12,15H2/b22-14-
InChIKey
UORZDSFYBKHZSX-HMAPJEAMSA-N
Synonyms
929832-07-5
(2Z)7(azepan1ylmethyl)2(1benzofuran2ylmethylidene)6hydroxy1benzofuran3one
(2Z)7(azepanium1ylmethyl)2(1benzofuran2ylmethylidene)3oxo23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)2(BENZO(D)FURAN2YLMETHYLENE)6HYDROXYBENZO(B)FURAN3ONE
929832075
C1CCCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)O
InChI=1SC24H23NO4c26201091823(27)22(14171316734821(16)2817)2924(18)19(20)15251151261225h34710131426H1256111215H2b2214
MFCD09791234
O=C1C(=Cc2cc3c(o2)cccc3)Oc2c1ccc(c2C(NH+)1CCCCCC1)(O)
ZINC000008991919
ZINC8991919

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Available files

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