Vitas-M small molecule compound

(2Z)-7-[(dibutylammonio)methyl]-2-(1H-indol-3-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK630857
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1c[nH]c3c1cccc3)/C2=O)CCCC

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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 C26H30N2O3 MW 418.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O3/c1-3-5-13-28(14-6-4-2)17-21-23(29)12-11-20-25(30)24(31-26(20)21)15-18-16-27-22-10-8-7-9-19(18)22/h7-12,15-16,27,29H,3-6,13-14,17H2,1-2H3/b24-15-
InChIKey
NBUYXHFTCHLAQI-IWIPYMOSSA-N
Synonyms
899386-09-5
(2Z)7((DIBUTYLAMINO)METHYL)6HYDROXY2(1HINDOL3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((dibutylammonio)methyl)2(1Hindol3ylmethylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((dibutylazaniumyl)methyl)2(1Hindol3ylmethylidene)3oxo1benzofuran6olate
7((DIBUTYLAMINO)METHYL)6HYDROXY2(INDOL3YLMETHYLENE)BENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1c(nH)c3c1cccc3)C2=O)CCCC
CCCC(NH+)(CCCC)CC1=C(C=CC2=C1OC(=CC3=CNC4=CC=CC=C43)C2=O)(O)
InChI=1SC26H30N2O3c1351328(14642)172123(29)12112025(30)24(3126(20)21)15181627221087919(18)22h71215162729H36131417H212H3b2415
MFCD06608673
ZINC000020649183
ZINC20649183

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Available files

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