Vitas-M small molecule compound

diethyl 4-(4-chloro-3-nitrophenyl)-1-(3,4-dimethoxybenzyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK407312
SMILES CCOC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1ccc(c(c1)[N+](=O)[O-])Cl)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 C26H27ClN2O8 MW 530.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27ClN2O8/c1-5-36-25(30)18-14-28(13-16-7-10-22(34-3)23(11-16)35-4)15-19(26(31)37-6-2)24(18)17-8-9-20(27)21(12-17)29(32)33/h7-12,14-15,24H,5-6,13H2,1-4H3
InChIKey
YRTDRYYPLFAGGP-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OCC)CC3=CC(=C(C=C3)OC)OC
CCOC(=O)C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)OCC
DIETHYL4(4CHLORO3NITROPHENYL)1((34DIMETHOXYPHENYL)METHYL)4HPYRIDINE35DICARBOXYLATE
diethyl4(4chloro3nitrophenyl)1(34dimethoxybenzyl)14dihydropyridine35dicarboxylate
ETHYL1((34DIMETHOXYPHENYL)METHYL)4(4CHLORO3NITROPHENYL)5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H27ClN2O8c153625(30)181428(131671022(343)23(1116)354)1519(26(31)3762)24(18)178920(27)21(1217)29(32)33h712141524H5613H214H3
MFCD04056975
ZINC000002805656
ZINC2805656

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Available files

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