Vitas-M small molecule compound
2-{[3-cyano-7,7-dimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STK885923
SMILES N#CC1=C(SCC(=O)NC2CCCCC2)NC2=C(C1c1ccc(o1)C)C(=O)CC(C2)(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 C25H31N3O3S MW 453.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O3S/c1-15-9-10-20(31-15)22-17(13-26)24(28-18-11-25(2,3)12-19(29)23(18)22)32-14-21(30)27-16-7-5-4-6-8-16/h9-10,16,22,28H,4-8,11-12,14H2,1-3H3,(H,27,30)InChIKey
QEZYFKBVGGYSOU-UHFFFAOYSA-NSynonyms
2((3cyano77dimethyl4(5methylfuran2yl)5oxo145678hexahydroquinolin2yl)sulfanyl)Ncyclohexylacetamide
2((3cyano77dimethyl4(5methylfuran2yl)5oxo1468tetrahydroquinolin2yl)sulfanyl)Ncyclohexylacetamide
CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CC(C3)(C)C)SCC(=O)NC4CCCCC4)C#N
InChI=1SC25H31N3O3Sc11591020(3115)2217(1326)24(28181125(23)1219(29)23(18)22)321421(30)27167546816h910162228H48111214H213H3(H2730)
MFCD04218706
ZINC000001113539
ZINC000001113542
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