Vitas-M small molecule compound
3-benzyl-6-{[(3,5-dimethylphenyl)amino]methyl}-7-hydroxy-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STK605696
SMILES Cc1cc(NCc2cc3c(c(c2O)C)oc(=O)c(c3C)Cc2ccccc2)cc(c1)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 C27H27NO3 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO3/c1-16-10-17(2)12-22(11-16)28-15-21-14-23-18(3)24(13-20-8-6-5-7-9-20)27(30)31-26(23)19(4)25(21)29/h5-12,14,28-29H,13,15H2,1-4H3InChIKey
IELYSZLEGKBFMW-UHFFFAOYSA-NSynonyms
3benzyl6(((35dimethylphenyl)amino)methyl)7hydroxy48dimethyl2Hchromen2one
3benzyl6(((35dimethylphenyl)amino)methyl)7hydroxy48dimethyl2Hchromen2onehydrochloride
3BENZYL6((35DIMETHYLANILINO)METHYL)7HYDROXY48DIMETHYLCHROMEN2ONE
CC1=CC(=CC(=C1)NCC2=C(C(=C3C(=C2)C(=C(C(=O)O3)CC4=CC=CC=C4)C)C)O)C
Cc1cc(NCc2cc3c(c(c2O)C)oc(=O)c(c3C)Cc2ccccc2)cc(c1)CCl
InChI=1SC27H27NO3c1161017(2)1222(1116)281521142318(3)24(13208657920)27(30)3126(23)19(4)25(21)29h512142829H1315H214H3
MFCD08288795
ZINC000006672343
ZINC06672343
ZINC6672343
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