Vitas-M small molecule compound
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK549375
SMILES N#CC1=C(SCC(=O)Nc2cccc3c2cccc3)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 C31H25N3O4S MW 535.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25N3O4S/c1-20-28(31(36)38-18-21-9-3-2-4-10-21)29(26-15-8-16-37-26)24(17-32)30(33-20)39-19-27(35)34-25-14-7-12-22-11-5-6-13-23(22)25/h2-16,29,33H,18-19H2,1H3,(H,34,35)InChIKey
JMLJSRNGGZLQDM-UHFFFAOYSA-NSynonyms
799772-46-6799772466
benzyl5cyano4(furan2yl)2methyl6((2(naphthalen1ylamino)2oxoethyl)sulfanyl)14dihydropyridine3carboxylate
benzyl5cyano4(furan2yl)2methyl6((2(naphthalen1ylamino)2oxoethyl)thio)14dihydropyridine3carboxylate
BENZYL5CYANO4(FURAN2YL)2METHYL6(2(NAPHTHALEN1YLAMINO)2OXOETHYL)SULFANYL14DIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC3=CC=CC=C32)C#N)C4=CC=CO4)C(=O)OCC5=CC=CC=C5
InChI=1SC31H25N3O4Sc12028(31(36)38182193241021)29(26158163726)24(1732)30(3320)391927(35)3425147122211561323(22)25h2162933H1819H21H3(H3435)
MFCD03672301
ZINC000002205605
ZINC000097951916
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