Vitas-M small molecule compound

diethyl 1-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK002730
SMILES CCOC(=O)C1=CN(C=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)OCC)c1ccc(c(c1)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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-8-35-27(30)21-15-29(20-11-10-17(3)18(4)12-20)16-22(28(31)36-9-2)25(21)19-13-23(32-5)26(34-7)24(14-19)33-6/h10-16,25H,8-9H2,1-7H3
InChIKey
ZOMXZJHZTQTEPV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)OCC)c1ccc(c(c1)C)C
CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OCC)C3=CC(=C(C=C3)C)C
DIETHYL1(34DIMETHYLPHENYL)4(345TRIMETHOXYPHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL1(34DIMETHYLPHENYL)4(345TRIMETHOXYPHENYL)4HPYRIDINE35DICARBOXYLATE
ETHYL1(34DIMETHYLPHENYL)5(ETHOXYCARBONYL)4(345TRIMETHOXYPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC28H33NO7c183527(30)211529(20111017(3)18(4)1220)1622(28(31)3692)25(21)191323(325)26(347)24(1419)336h101625H89H217H3
MFCD02105331
STK002730
ZINC000001170714
ZINC01170714
ZINC1170714

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Available files

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