Vitas-M small molecule compound
2-(ethoxycarbonyl)-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-8-[(3-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK562490
SMILES CCOC(=O)c1oc2c(C[NH+]3CCCC(C3)C)c([O-])c(cc2c(=O)c1c1nc2c(n1C)cccc2)CC
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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 C29H33N3O5 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5/c1-5-18-14-19-25(34)23(28-30-21-11-7-8-12-22(21)31(28)4)27(29(35)36-6-2)37-26(19)20(24(18)33)16-32-13-9-10-17(3)15-32/h7-8,11-12,14,17,33H,5-6,9-10,13,15-16H2,1-4H3InChIKey
FHVSNLJUXOHYKC-UHFFFAOYSA-NSynonyms
610759-66-52(ethoxycarbonyl)6ethyl3(1methyl1Hbenzimidazol2yl)8((3methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4N3C)CN5CCCC(C5)C)O
CCOC(=O)c1oc2c(C(NH+)3CCCC(C3)C)c((O))c(cc2c(=O)c1c1nc2c(n1C)cccc2)CC
InChI=1SC29H33N3O5c1518141925(34)23(28302111781222(21)31(28)4)27(29(35)3662)3726(19)20(24(18)33)16321391017(3)1532h781112141733H56910131516H214H3
MFCD03672317
ZINC000008433256
ZINC000008433257
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