Vitas-M small molecule compound
2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779421
SMILES CSc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CCC2)c1sc2c(c1C#N)CCCCCC2
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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 C27H28N2O2S2 MW 476.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S2/c1-32-18-13-11-17(12-14-18)20-15-25(31)29(22-8-6-9-23(30)26(20)22)27-21(16-28)19-7-4-2-3-5-10-24(19)33-27/h11-14,20H,2-10,15H2,1H3InChIKey
NOBGYLJPYVYUEF-UHFFFAOYSA-NSynonyms
2(4(4(methylsulfanyl)phenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(4methylsulfanylphenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
CSC1=CC=C(C=C1)C2CC(=O)N(C3=C2C(=O)CCC3)C4=C(C5=C(S4)CCCCCC5)C#N
InChI=1SC27H28N2O2S2c13218131117(121418)201525(31)29(2286923(30)26(20)22)2721(1628)19742351024(19)3327h111420H21015H21H3
MFCD05858539
ZINC000012371897
ZINC000012371898
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