Vitas-M small molecule compound
(2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856991
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1c[nH]c3c1cccc3)/C2=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 C23H23N3O3 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3/c1-25-8-10-26(11-9-25)14-18-20(27)7-6-17-22(28)21(29-23(17)18)12-15-13-24-19-5-3-2-4-16(15)19/h2-7,12-13,24,27H,8-11,14H2,1H3/b21-12-InChIKey
XKYCCMQBKCBXCH-MTJSOVHGSA-NSynonyms
900269-11-6(2Z)2(1Hindol3ylmethylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
900269116
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1c(nH)c3c1cccc3)C2=O
CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)O
InChI=1SC23H23N3O3c12581026(11925)141820(27)761722(28)21(2923(17)18)1215132419532416(15)19h2712132427H81114H21H3b2112
MFCD06610570
ZINC000022863596
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