Vitas-M small molecule compound
methyl ({3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]-4-(thiophen-2-yl)-1,4-dihydropyridin-2-yl}sulfanyl)acetate
Catalog ID
STK860649
SMILES COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1C)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 C22H21N3O3S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S2/c1-13-7-4-5-8-16(13)25-21(27)19-14(2)24-22(30-12-18(26)28-3)15(11-23)20(19)17-9-6-10-29-17/h4-10,20,24H,12H2,1-3H3,(H,25,27)InChIKey
HIQXQUOLQSNLPE-UHFFFAOYSA-NSynonyms
277756-63-5277756635
CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CS3)C#N)SCC(=O)OC)C
InChI=1SC22H21N3O3S2c113745816(13)2521(27)1914(2)2422(301218(26)283)15(1123)20(19)1796102917h4102024H12H213H3(H2527)
methyl((3cyano6methyl5((2methylphenyl)carbamoyl)4(thiophen2yl)14dihydropyridin2yl)sulfanyl)acetate
METHYL2((3CYANO6METHYL4(THIOPHEN2YL)5(OTOLYLCARBAMOYL)14DIHYDROPYRIDIN2YL)THIO)ACETATE
METHYL2((3CYANO6METHYL5((2METHYLPHENYL)CARBAMOYL)4THIOPHEN2YL14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
MFCD01306851
ZINC000008934488
ZINC000008934489
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