Vitas-M small molecule compound
(2Z)-7-(azepan-1-ylmethyl)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-6-hydroxy-1-benzofuran-3(2H)-one
Catalog ID
STL035020
SMILES CCn1cc(c2c1cccc2)/C=C/1\Oc2c(C1=O)ccc(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 C26H28N2O3 MW 416.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O3/c1-2-28-16-18(19-9-5-6-10-22(19)28)15-24-25(30)20-11-12-23(29)21(26(20)31-24)17-27-13-7-3-4-8-14-27/h5-6,9-12,15-16,29H,2-4,7-8,13-14,17H2,1H3/b24-15-InChIKey
FPBPGGZZOOJIHH-IWIPYMOSSA-NSynonyms
(2Z)7(azepan1ium1ylmethyl)2((1ethylindol3yl)methylidene)3oxo1benzofuran6olate
(2Z)7(azepan1ylmethyl)2((1ethyl1Hindol3yl)methylidene)6hydroxy1benzofuran3(2H)one
(E)7(azepan1ylmethyl)2((1ethyl1Hindol3yl)methylene)6hydroxybenzofuran3(2H)one
7(AZAPERHYDROEPINYLMETHYL)2((1ETHYLINDOL3YL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)5CCCCCC5
CCn1cc(c2c1cccc2)C=C1Oc2c(C1=O)ccc(c2CN1CCCCCC1)O
InChI=1SC26H28N2O3c12281618(199561022(19)28)152425(30)20111223(29)21(26(20)3124)17271373481427h56912151629H2478131417H21H3b2415
MFCD18191973
ZINC000028182857
ZINC28182857
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