Vitas-M small molecule compound
diethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-1-(4-fluorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK407349
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(OCC)c(c(c1)[N+](=O)[O-])O)C(=O)OCC
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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 C26H27FN2O8 MW 514.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN2O8/c1-4-35-22-12-17(11-21(24(22)30)29(33)34)23-19(25(31)36-5-2)14-28(15-20(23)26(32)37-6-3)13-16-7-9-18(27)10-8-16/h7-12,14-15,23,30H,4-6,13H2,1-3H3InChIKey
HJIHIGASANNGBO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(OCC)c(c(c1)(N+)(=O)(O))O)C(=O)OCC
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C(=CN(C=C2C(=O)OCC)CC3=CC=C(C=C3)F)C(=O)OCC
DIETHYL4(3ETHOXY4HYDROXY5NITROPHENYL)1((4FLUOROPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(3ethoxy4hydroxy5nitrophenyl)1(4fluorobenzyl)14dihydropyridine35dicarboxylate
ETHYL5(ETHOXYCARBONYL)4(5ETHOXY4HYDROXY3NITROPHENYL)1((4FLUOROPHENYL)METHYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H27FN2O8c1435221217(1121(24(22)30)29(33)34)2319(25(31)3652)1428(1520(23)26(32)3763)13167918(27)10816h71214152330H4613H213H3
MFCD04057006
ZINC000035877217
ZINC35877217
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