Vitas-M small molecule compound
methyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-(phenylcarbamoyl)-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK885323
SMILES COC(=O)CSC1=C(C#N)C(C(=C(N1)C)C(=O)Nc1ccccc1)c1ccco1
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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 C21H19N3O4S MW 409.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S/c1-13-18(20(26)24-14-7-4-3-5-8-14)19(16-9-6-10-28-16)15(11-22)21(23-13)29-12-17(25)27-2/h3-10,19,23H,12H2,1-2H3,(H,24,26)InChIKey
FRQXZRWRMYDSTG-UHFFFAOYSA-NSynonyms
223110-41-6223110416
CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CO2)C(=O)NC3=CC=CC=C3
InChI=1SC21H19N3O4Sc11318(20(26)24147435814)19(1696102816)15(1122)21(2313)291217(25)272h3101923H12H212H3(H2426)
methyl((3cyano4(furan2yl)6methyl5(phenylcarbamoyl)14dihydropyridin2yl)sulfanyl)acetate
METHYL2((3CYANO4(FURAN2YL)6METHYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
METHYL2((3CYANO4(FURAN2YL)6METHYL5(PHENYLCARBAMOYL)14DIHYDROPYRIDIN2YL)THIO)ACETATE
MFCD00339136
ZINC000000874801
ZINC000000874807
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