Vitas-M small molecule compound
(2Z)-7-(azepan-1-ylmethyl)-6-hydroxy-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-1-benzofuran-3(2H)-one
Catalog ID
STK992666
SMILES COc1ccc2c(c1)c(/C=C/1\Oc3c(C1=O)ccc(c3CN1CCCCCC1)O)cn2C
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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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-27-15-17(20-14-18(31-2)7-9-22(20)27)13-24-25(30)19-8-10-23(29)21(26(19)32-24)16-28-11-5-3-4-6-12-28/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/b24-13-InChIKey
XQEGIQXNSJOPGI-CFRMEGHHSA-NSynonyms
(2Z)7(azepan1ylmethyl)6hydroxy2((5methoxy1methyl1Hindol3yl)methylidene)1benzofuran3(2H)one
(2Z)7(azepan1ylmethyl)6hydroxy2((5methoxy1methylindol3yl)methylidene)1benzofuran3one
(E)7(azepan1ylmethyl)6hydroxy2((5methoxy1methyl1Hindol3yl)methylene)benzofuran3(2H)one
7(AZAPERHYDROEPINYLMETHYL)6HYDROXY2((5METHOXY1METHYLINDOL3YL)METHYLENE)BENZO(B)FURAN3ONE
CN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCCCCC5
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3CN1CCCCCC1)O)cn2C
InChI=1SC26H28N2O4c1271517(201418(312)7922(20)27)132425(30)1981023(29)21(26(19)3224)16281153461228h710131529H36111216H212H3b2413
MFCD18184608
ZINC000028182428
ZINC28182428
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