Vitas-M small molecule compound
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-[(1-methyl-1H-indol-3-yl)methylidene]-1-benzofuran-3(2H)-one
Catalog ID
STK992721
SMILES O=C1/C(=C/c2cn(c3c2cccc3)C)/Oc2c1ccc(c2CN1CCCCCC1)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 C25H26N2O3 MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)14-23-24(29)19-10-11-22(28)20(25(19)30-23)16-27-12-6-2-3-7-13-27/h4-5,8-11,14-15,28H,2-3,6-7,12-13,16H2,1H3/b23-14-InChIKey
QQQRMOCVPMLHGQ-UCQKPKSFSA-NSynonyms
(2Z)7(azepan1ylmethyl)6hydroxy2((1methyl1Hindol3yl)methylidene)1benzofuran3(2H)one
(2Z)7(azepan1ylmethyl)6hydroxy2((1methylindol3yl)methylidene)1benzofuran3one
(E)7(azepan1ylmethyl)6hydroxy2((1methyl1Hindol3yl)methylene)benzofuran3(2H)one
7(AZAPERHYDROEPINYLMETHYL)6HYDROXY2((1METHYLINDOL3YL)METHYLENE)BENZO(B)FURAN3ONE
CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCCCC5
InChI=1SC25H26N2O3c1261517(18845921(18)26)142324(29)19101122(28)20(25(19)3023)16271262371327h45811141528H2367121316H21H3b2314
MFCD18184615
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2CN1CCCCCC1)O
ZINC000028182438
ZINC28182438
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