Vitas-M small molecule compound
(7E)-2-[(4-nitrobenzyl)sulfanyl]-4-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Catalog ID
STK832347
SMILES N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1c1cccs1)CC/C/2=C\c1cccs1
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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 C25H17N3O2S3 MW 487.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17N3O2S3/c26-14-21-23(22-4-2-12-32-22)20-10-7-17(13-19-3-1-11-31-19)24(20)27-25(21)33-15-16-5-8-18(9-6-16)28(29)30/h1-6,8-9,11-13H,7,10,15H2/b17-13+InChIKey
FYLLXWGEAQNQTE-GHRIWEEISA-NSynonyms
(7E)2((4nitrobenzyl)sulfanyl)4(thiophen2yl)7(thiophen2ylmethylidene)67dihydro5Hcyclopenta(b)pyridine3carbonitrile
(7E)2((4nitrophenyl)methylsulfanyl)4thiophen2yl7(thiophen2ylmethylidene)56dihydrocyclopenta(b)pyridine3carbonitrile
C1CC2=C(C1=CC3=CC=CS3)N=C(C(=C2C4=CC=CS4)C#N)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC25H17N3O2S3c26142123(2242123222)2010717(131931113119)24(20)2725(21)3315165818(9616)28(29)30h16891113H71015H2b1713+
MFCD02647586
N#Cc1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1c1cccs1)CCC2=Cc1cccs1
ZINC000008766645
ZINC08766645
ZINC8766645
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