Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK826595
SMILES N#CC1=C(SCC(=O)Nc2c(C)cc(cc2C)C)NC(=C(C1c1ccco1)C(=O)OCc1ccccc1)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 C30H29N3O4S MW 527.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29N3O4S/c1-18-13-19(2)28(20(3)14-18)33-25(34)17-38-29-23(15-31)27(24-11-8-12-36-24)26(21(4)32-29)30(35)37-16-22-9-6-5-7-10-22/h5-14,27,32H,16-17H2,1-4H3,(H,33,34)InChIKey
AGNJPAKVAZGPTL-UHFFFAOYSA-NSynonyms
benzyl5cyano4(furan2yl)2methyl6((2oxo2((246trimethylphenyl)amino)ethyl)sulfanyl)14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)2METHYL6(2OXO2(246TRIMETHYLANILINO)ETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC3=CC=CC=C3)C4=CC=CO4)C#N)C
InChI=1SC30H29N3O4Sc1181319(2)28(20(3)1418)3325(34)17382923(1531)27(24118123624)26(21(4)3229)30(35)37162296571022h5142732H1617H214H3(H3334)
MFCD03723780
ZINC000001142218
ZINC000001142219
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