Vitas-M small molecule compound
diethyl 1-(4-fluorobenzyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Catalog ID
STK404066
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(OC)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 C25H25FN2O8 MW 500.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O8/c1-4-35-24(30)18-13-27(12-15-6-8-17(26)9-7-15)14-19(25(31)36-5-2)22(18)16-10-20(28(32)33)23(29)21(11-16)34-3/h6-11,13-14,22,29H,4-5,12H2,1-3H3InChIKey
LJKCQRABDHLOBX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)O)(N+)(=O)(O))C(=O)OCC)CC3=CC=C(C=C3)F
CCOC(=O)C1=CN(Cc2ccc(cc2)F)C=C(C1c1cc(OC)c(c(c1)(N+)(=O)(O))O)C(=O)OCC
DIETHYL1((4FLUOROPHENYL)METHYL)4(4HYDROXY3METHOXY5NITROPHENYL)4HPYRIDINE35DICARBOXYLATE
diethyl1(4fluorobenzyl)4(4hydroxy3methoxy5nitrophenyl)14dihydropyridine35dicarboxylate
ETHYL5(ETHOXYCARBONYL)1((4FLUOROPHENYL)METHYL)4(4HYDROXY5METHOXY3NITROPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC25H25FN2O8c143524(30)181327(12156817(26)9715)1419(25(31)3652)22(18)161020(28(32)33)23(29)21(1116)343h61113142229H4512H213H3
MFCD04056774
ZINC000035877082
ZINC35877082
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