Vitas-M small molecule compound
methyl 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STL002575
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)OC)c1cccs1
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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 C22H20N2O4S2 MW 440.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4S2/c1-13-19(22(26)28-3)20(18-5-4-10-29-18)16(11-23)21(24-13)30-12-17(25)14-6-8-15(27-2)9-7-14/h4-10,20,24H,12H2,1-3H3InChIKey
WANSKVNUICFXBN-UHFFFAOYSA-NSynonyms
445383-99-3445383993
CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC=CS3)C(=O)OC
InChI=1SC22H20N2O4S2c11319(22(26)283)20(1854102918)16(1123)21(2413)301217(25)146815(272)9714h4102024H12H213H3
methyl5cyano6((2(4methoxyphenyl)2oxoethyl)sulfanyl)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
methyl5cyano6((2(4methoxyphenyl)2oxoethyl)thio)2methyl4(thiophen2yl)14dihydropyridine3carboxylate
METHYL5CYANO6(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL2METHYL4THIOPHEN2YL14DIHYDROPYRIDINE3CARBOXYLATE
MFCD03234631
ZINC000000663452
ZINC000000663454
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