Vitas-M small molecule compound

diethyl 4-(1,3-benzothiazol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK382733
SMILES CCOC(=O)C1=CNC=C(C1c1nc2c(s1)cccc2)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 C18H18N2O4S MW 358.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4S/c1-3-23-17(21)11-9-19-10-12(18(22)24-4-2)15(11)16-20-13-7-5-6-8-14(13)25-16/h5-10,15,19H,3-4H2,1-2H3
InChIKey
VNJXBFMLSPPWGG-UHFFFAOYSA-N
Synonyms
439092-53-2
439092532
CCOC(=O)C1=CNC=C(C1C2=NC3=CC=CC=C3S2)C(=O)OCC
diethyl4(13benzothiazol2yl)14dihydropyridine35dicarboxylate
DIETHYL4(BENZO(D)THIAZOL2YL)14DIHYDROPYRIDINE35DICARBOXYLATE
ETHYL4BENZOTHIAZOL2YL5(ETHOXYCARBONYL)14DIHYDROPYRIDINE3CARBOXYLATE
InChI=1SC18H18N2O4Sc132317(21)119191012(18(22)2442)15(11)162013756814(13)2516h5101519H34H212H3
MFCD03037787
ZINC000022077289
ZINC22077289

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Available files

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