Vitas-M small molecule compound
6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2,6-dimethylphenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK885696
SMILES N#CC1=C(SCC(=O)NCc2ccccc2)NC(=C(C1c1ccco1)C(=O)Nc1c(C)cccc1C)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 C29H28N4O3S MW 512.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O3S/c1-18-9-7-10-19(2)27(18)33-28(35)25-20(3)32-29(22(15-30)26(25)23-13-8-14-36-23)37-17-24(34)31-16-21-11-5-4-6-12-21/h4-14,26,32H,16-17H2,1-3H3,(H,31,34)(H,33,35)InChIKey
SQYSDOCSJOHEFA-UHFFFAOYSA-NSynonyms
6((2(benzylamino)2oxoethyl)sulfanyl)5cyanoN(26dimethylphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
6(2(benzylamino)2oxoethyl)sulfanyl5cyanoN(26dimethylphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NCC4=CC=CC=C4)C
InChI=1SC29H28N4O3Sc118971019(2)27(18)3328(35)2520(3)3229(22(1530)26(25)23138143623)371724(34)311621115461221h4142632H1617H213H3(H3134)(H3335)
MFCD10086238
ZINC000012250084
ZINC000012250085
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