Vitas-M small molecule compound
5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-ethyl-6-methylphenyl)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Catalog ID
STK826421
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)NC(=C(C1c1ccco1)C(=O)Nc1c(C)cccc1CC)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 C29H34N4O3S MW 518.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O3S/c1-4-20-11-8-10-18(2)27(20)33-28(35)25-19(3)31-29(22(16-30)26(25)23-14-9-15-36-23)37-17-24(34)32-21-12-6-5-7-13-21/h8-11,14-15,21,26,31H,4-7,12-13,17H2,1-3H3,(H,32,34)(H,33,35)InChIKey
AUFBWKFFEOJBIE-UHFFFAOYSA-NSynonyms
5cyano6((2(cyclohexylamino)2oxoethyl)sulfanyl)N(2ethyl6methylphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
5cyano6(2(cyclohexylamino)2oxoethyl)sulfanylN(2ethyl6methylphenyl)4(furan2yl)2methyl14dihydropyridine3carboxamide
CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC=CO3)C#N)SCC(=O)NC4CCCCC4)C)C
InChI=1SC29H34N4O3Sc14201181018(2)27(20)3328(35)2519(3)3129(22(1630)26(25)23149153623)371724(34)3221126571321h8111415212631H47121317H213H3(H3234)(H3335)
MFCD10086325
ZINC000012250143
ZINC000012250144
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