Vitas-M small molecule compound

dimethyl 1-[4-(methoxycarbonyl)phenyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate

Catalog ID
STK406045
SMILES COC(=O)C1=CN(C=C(C1c1cccs1)C(=O)OC)c1ccc(cc1)C(=O)OC

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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 C21H19NO6S MW 413.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO6S/c1-26-19(23)13-6-8-14(9-7-13)22-11-15(20(24)27-2)18(17-5-4-10-29-17)16(12-22)21(25)28-3/h4-12,18H,1-3H3
InChIKey
KJTYBSKPVOVBOS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)N2C=C(C(C(=C2)C(=O)OC)C3=CC=CS3)C(=O)OC
dimethyl1(4(methoxycarbonyl)phenyl)4(thiophen2yl)14dihydropyridine35dicarboxylate
DIMETHYL1(4METHOXYCARBONYLPHENYL)4THIOPHEN2YL4HPYRIDINE35DICARBOXYLATE
InChI=1SC21H19NO6Sc12619(23)136814(9713)221115(20(24)272)18(1754102917)16(1222)21(25)283h41218H13H3
METHYL4(35BIS(METHOXYCARBONYL)4(2THIENYL)14DIHYDROPYRIDYL)BENZOATE
MFCD04216171
ZINC000002845092
ZINC02845092
ZINC2845092

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Available files

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