Vitas-M small molecule compound

dimethyl 1-(propan-2-yl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK403670
SMILES COC(=O)C1=CN(C=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)OC)C(C)C

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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 C21H27NO7 MW 405.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO7/c1-12(2)22-10-14(20(23)28-6)18(15(11-22)21(24)29-7)13-8-16(25-3)19(27-5)17(9-13)26-4/h8-12,18H,1-7H3
InChIKey
CJUCNLTYDXOMPJ-UHFFFAOYSA-N
Synonyms

CC(C)N1C=C(C(C(=C1)C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC
dimethyl1(propan2yl)4(345trimethoxyphenyl)14dihydropyridine35dicarboxylate
DIMETHYL1PROPAN2YL4(345TRIMETHOXYPHENYL)4HPYRIDINE35DICARBOXYLATE
InChI=1SC21H27NO7c112(2)221014(20(23)286)18(15(1122)21(24)297)13816(253)19(275)17(913)264h81218H17H3
METHYL5(METHOXYCARBONYL)1(METHYLETHYL)4(345TRIMETHOXYPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03489566
ZINC000000815880
ZINC00815880
ZINC815880

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Available files

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