Vitas-M small molecule compound
tert-butyl 5-cyano-2-methyl-6-sulfanyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL323579
SMILES N#CC1=C(S)NC(=C(C1c1cccs1)C(=O)OC(C)(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 C16H18N2O2S2 MW 334.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O2S2/c1-9-12(15(19)20-16(2,3)4)13(11-6-5-7-22-11)10(8-17)14(21)18-9/h5-7,13,18,21H,1-4H3InChIKey
BLGSLHFFXHEZOR-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=C(N1)S)C#N)C2=CC=CS2)C(=O)OC(C)(C)C
InChI=1SC16H18N2O2S2c1912(15(19)2016(23)4)13(116572211)10(817)14(21)189h57131821H14H3
MFCD01416771
tertbutyl5cyano2methyl6sulfanyl4(thiophen2yl)14dihydropyridine3carboxylate
TERTBUTYL5CYANO2METHYL6SULFANYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000000495437
ZINC000000495438
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