Vitas-M small molecule compound
5-acetyl-6-methyl-4-(2-methylpropyl)-2-[(3-nitrobenzyl)sulfanyl]-1,4-dihydropyridine-3-carbonitrile
Catalog ID
STK758096
SMILES N#CC1=C(SCc2cccc(c2)[N+](=O)[O-])NC(=C(C1CC(C)C)C(=O)C)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 C20H23N3O3S MW 385.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O3S/c1-12(2)8-17-18(10-21)20(22-13(3)19(17)14(4)24)27-11-15-6-5-7-16(9-15)23(25)26/h5-7,9,12,17,22H,8,11H2,1-4H3InChIKey
DYEKNKNRPOFWRB-UHFFFAOYSA-NSynonyms
5acetyl6methyl4(2methylpropyl)2((3nitrobenzyl)sulfanyl)14dihydropyridine3carbonitrile
5ACETYL6METHYL4(2METHYLPROPYL)2((3NITROPHENYL)METHYLSULFANYL)14DIHYDROPYRIDINE3CARBONITRILE
5ACETYL6METHYL4(2METHYLPROPYL)2((3NITROPHENYL)METHYLTHIO)14DIHYDROPYRIDINE3CARBONITRILE
CC1=C(C(C(=C(N1)SCC2=CC(=CC=C2)(N+)(=O)(O))C#N)CC(C)C)C(=O)C
InChI=1SC20H23N3O3Sc112(2)81718(1021)20(2213(3)19(17)14(4)24)27111565716(915)23(25)26h579121722H811H214H3
MFCD01305566
N#CC1=C(SCc2cccc(c2)(N+)(=O)(O))NC(=C(C1CC(C)C)C(=O)C)C
ZINC000004149711
ZINC000004149712
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