Vitas-M small molecule compound
8-(azepanium-1-ylmethyl)-6-ethyl-2-methyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-chromen-7-olate
Catalog ID
STL514290
SMILES CCc1cc2c(c(c1[O-])C[NH+]1CCCCCC1)oc(c(c2=O)c1nc2c(n1C)cccc2)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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-4-18-15-19-25(32)23(27-28-21-11-7-8-12-22(21)29(27)3)17(2)33-26(19)20(24(18)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,31H,4-6,9-10,13-14,16H2,1-3H3InChIKey
FFWXSQCCIFMLOU-UHFFFAOYSA-NSynonyms
315237-86-6315237866
4037371
8(azepanium1ylmethyl)6ethyl2methyl3(1methyl1Hbenzimidazol2yl)4oxo4Hchromen7olate
MFCD00711474
ZINC000002667146
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