Vitas-M small molecule compound
ethyl 4-[(2,6-dimethylpiperidin-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
Catalog ID
STK700562
SMILES CCOC(=O)c1c(oc2c1c(CN1C(C)CCCC1C)c(cc2)O)c1ccccc1
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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 C25H29NO4 MW 407.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO4/c1-4-29-25(28)23-22-19(15-26-16(2)9-8-10-17(26)3)20(27)13-14-21(22)30-24(23)18-11-6-5-7-12-18/h5-7,11-14,16-17,27H,4,8-10,15H2,1-3H3InChIKey
BCKXDTKOBAGXQL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)CN3C(CCCC3C)C)C4=CC=CC=C4
ETHYL4(((2R6R)26DIMETHYLPIPERIDIN1YL)METHYL)5HYDROXY2PHENYL1BENZOFURAN3CARBOXYLATE
ethyl4(((2R6S)26dimethylpiperidin1yl)methyl)5hydroxy2phenylbenzofuran3carboxylatefumarate
ethyl4((26dimethylpiperidin1yl)methyl)5hydroxy2phenyl1benzofuran3carboxylate
InChI=1SC25H29NO4c142925(28)232219(152616(2)981017(26)3)20(27)131421(22)3024(23)18116571218h571114161727H481015H213H3
MFCD13371126
OC(=O)C=CC(=O)OCCOC(=O)c1c(oc2c1c(CN1(C@H)(C)CCC(C@@H)1C)c(cc2)O)c1ccccc1
ZINC000001760206
ZINC000001760210
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