Vitas-M small molecule compound

diethyl 4-[2-(benzyloxy)phenyl]-1-(4-fluorobenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK404030
SMILES CCOC(=O)C1=CN(Cc2ccc(cc2)F)C=C(C1c1ccccc1OCc1ccccc1)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 C31H30FNO5 MW 515.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30FNO5/c1-3-36-30(34)26-19-33(18-22-14-16-24(32)17-15-22)20-27(31(35)37-4-2)29(26)25-12-8-9-13-28(25)38-21-23-10-6-5-7-11-23/h5-17,19-20,29H,3-4,18,21H2,1-2H3
InChIKey
UAJCKQMGLRJGCB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCC)CC4=CC=C(C=C4)F
DIETHYL1((4FLUOROPHENYL)METHYL)4(2PHENYLMETHOXYPHENYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(2(benzyloxy)phenyl)1(4fluorobenzyl)14dihydropyridine35dicarboxylate
ETHYL5(ETHOXYCARBONYL)1((4FLUOROPHENYL)METHYL)4(2(PHENYLMETHOXY)PHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC31H30FNO5c133630(34)261933(1822141624(32)171522)2027(31(35)3742)29(26)2512891328(25)382123106571123h517192029H341821H212H3
MFCD04056807
ZINC000002796966
ZINC02796966
ZINC2796966

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.