Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK631173
SMILES Clc1cc(/C=C/2\Oc3c(C2=O)ccc(c3C[NH+]2CCCCCC2)[O-])c2c(c1)COCO2
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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 C24H24ClNO5 MW 441.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClNO5/c25-17-9-15(23-16(10-17)13-29-14-30-23)11-21-22(28)18-5-6-20(27)19(24(18)31-21)12-26-7-3-1-2-4-8-26/h5-6,9-11,27H,1-4,7-8,12-14H2/b21-11-InChIKey
HZWXXPCRXKXTSW-NHDPSOOVSA-NSynonyms
929457-01-2(2Z)7(azepanium1ylmethyl)2((6chloro4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
Clc1cc(C=C2Oc3c(C2=O)ccc(c3C(NH+)2CCCCCC2)(O))c2c(c1)COCO2
MFCD09796610
ZINC000013655616
ZINC13655616
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