Vitas-M small molecule compound
3-(1H-benzimidazol-2-yl)-6-ethyl-8-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-oxo-4H-chromen-7-olate
Catalog ID
STK562583
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])c(CC)cc2c1occ(c2=O)c1nc2c([nH]1)cccc2
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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 C25H28N4O4 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O4/c1-2-16-13-17-23(32)19(25-26-20-5-3-4-6-21(20)27-25)15-33-24(17)18(22(16)31)14-29-9-7-28(8-10-29)11-12-30/h3-6,13,15,30-31H,2,7-12,14H2,1H3,(H,26,27)InChIKey
ONIVYPGCCOLXTC-UHFFFAOYSA-NSynonyms
637747-24-13(1Hbenzimidazol2yl)6ethyl8((4(2hydroxyethyl)piperazin1ium1yl)methyl)4oxo4Hchromen7olate
CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)CN5CCN(CC5)CCO)O
InChI=1SC25H28N4O4c1216131723(32)19(252620534621(20)2725)153324(17)18(22(16)31)14299728(81029)111230h3613153031H271214H21H3(H2627)
MFCD03672802
OCCN1CC(NH+)(CC1)Cc1c((O))c(CC)cc2c1occ(c2=O)c1nc2c((nH)1)cccc2
ZINC000020170902
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