Vitas-M small molecule compound

(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-7-(pyrrolidinium-1-ylmethyl)-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK853490
SMILES Cc1cc([O-])c(c2c1C(=O)/C(=C/c1ccncc1)/O2)C[NH+]1CCCC1

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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 C20H20N2O3 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O3/c1-13-10-16(23)15(12-22-8-2-3-9-22)20-18(13)19(24)17(25-20)11-14-4-6-21-7-5-14/h4-7,10-11,23H,2-3,8-9,12H2,1H3/b17-11-
InChIKey
DJZDTEQZDPRZCN-BOPFTXTBSA-N
Synonyms
904009-81-0
(2Z)4methyl3oxo2(pyridin4ylmethylidene)7(pyrrolidinium1ylmethyl)23dihydro1benzofuran6olate
(2Z)6hydroxy4methyl2(pyridin4ylmethylidene)7(pyrrolidin1ylmethyl)1benzofuran3one
904009810
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)CN4CCCC4)O
Cc1cc((O))c(c2c1C(=O)C(=Cc1ccncc1)O2)C(NH+)1CCCC1
InChI=1SC20H20N2O3c1131016(23)15(1222823922)2018(13)19(24)17(2520)111446217514h47101123H238912H21H3b1711
MFCD08289461
ZINC000020589012

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Available files

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