Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853197
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cccnc1)/C2=O)CC(C)C)C
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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 C23H28N2O3 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O3/c1-15(2)12-25(13-16(3)4)14-19-20(26)8-7-18-22(27)21(28-23(18)19)10-17-6-5-9-24-11-17/h5-11,15-16,26H,12-14H2,1-4H3/b21-10-InChIKey
SWPUZFZJGPFIEY-FBHDLOMBSA-NSynonyms
896849-46-0(2Z)7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY2(PYRIDIN3YLMETHYLIDENE)1BENZOFURAN3ONE
(2Z)7((bis(2methylpropyl)ammonio)methyl)3oxo2(pyridin3ylmethylidene)23dihydro1benzofuran6olate
7((BIS(2METHYLPROPYL)AMINO)METHYL)6HYDROXY2(3PYRIDYLMETHYLENE)BENZO(B)FURAN3ONE
896849460
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cccnc1)C2=O)CC(C)C)C
CC(C)CN(CC1=C(C=CC2=C1OC(=CC3=CN=CC=C3)C2=O)O)CC(C)C
InChI=1SC23H28N2O3c115(2)1225(1316(3)4)141920(26)871822(27)21(2823(18)19)1017659241117h511151626H1214H214H3b2110
MFCD06602976
ZINC000020518871
ZINC20518871
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