Vitas-M small molecule compound
4-cyano-4-phenylbutyl [2,2-dimethyl-4-(4-methylphenyl)tetrahydro-2H-pyran-4-yl]acetate
Catalog ID
STL563208
SMILES N#CC(c1ccccc1)CCCOC(=O)CC1(CCOC(C1)(C)C)c1ccc(cc1)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 C27H33NO3 MW 419.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO3/c1-21-11-13-24(14-12-21)27(15-17-31-26(2,3)20-27)18-25(29)30-16-7-10-23(19-28)22-8-5-4-6-9-22/h4-6,8-9,11-14,23H,7,10,15-18,20H2,1-3H3InChIKey
IBFLPBRJAUJAIW-UHFFFAOYSA-NSynonyms
306966-28-9(4cyano4phenylbutyl)2(22dimethyl4(4methylphenyl)oxan4yl)acetate
306966289
4cyano4phenylbutyl(22dimethyl4(4methylphenyl)tetrahydro2Hpyran4yl)acetate
4cyano4phenylbutyl2(22dimethyl4(ptolyl)tetrahydro2Hpyran4yl)acetate
5100247
InChI=1SC27H33NO3c121111324(141221)27(15173126(23)2027)1825(29)301671023(1928)228546922h4689111423H710151820H213H3
ZINC000004814908
ZINC000004814917
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