Vitas-M small molecule compound

diethyl 1-(4-ethoxyphenyl)-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK023608
SMILES CCOC(=O)C1=CN(C=C(C1c1ccc(cc1)SC)C(=O)OCC)c1ccc(cc1)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 C26H29NO5S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5S/c1-5-30-20-12-10-19(11-13-20)27-16-22(25(28)31-6-2)24(23(17-27)26(29)32-7-3)18-8-14-21(33-4)15-9-18/h8-17,24H,5-7H2,1-4H3
InChIKey
ZKMPXZKXNJZYQT-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CN(C=C(C1c1ccc(cc1)SC)C(=O)OCC)c1ccc(cc1)OCC
CCOC1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OCC)C3=CC=C(C=C3)SC)C(=O)OCC
DIETHYL1(4ETHOXYPHENYL)4(4(METHYLSULFANYL)PHENYL)14DIHYDROPYRIDINE35DICARBOXYLATE
DIETHYL1(4ETHOXYPHENYL)4(4METHYLSULFANYLPHENYL)4HPYRIDINE35DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)1(4ETHOXYPHENYL)4(4METHYLTHIOPHENYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC26H29NO5Sc153020121019(111320)271622(25(28)3162)24(23(1727)26(29)3273)1881421(334)15918h81724H57H214H3
MFCD01975543
STK023608
ZINC000001107174
ZINC01107174
ZINC1107174

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Available files

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