Vitas-M small molecule compound
N-(4-butylphenyl)-2-{[3-cyano-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK886376
SMILES CCCCc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccco1
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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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-2-3-6-17-10-12-18(13-11-17)28-23(31)16-33-26-19(15-27)24(22-9-5-14-32-22)25-20(29-26)7-4-8-21(25)30/h5,9-14,24,29H,2-4,6-8,16H2,1H3,(H,28,31)InChIKey
YIFWQHGMEMTZBQ-UHFFFAOYSA-NSynonyms
799821-24-2799821242
CCCCC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N
InChI=1SC26H27N3O3Sc123617101218(131117)2823(31)16332619(1527)24(2295143222)2520(2926)74821(25)30h59142429H246816H21H3(H2831)
MFCD03682352
N(4butylphenyl)2((3cyano4(furan2yl)5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(4butylphenyl)2((3cyano4(furan2yl)5oxo145678hexahydroquinolin2yl)thio)acetamide
N(4butylphenyl)2((3cyano4(furan2yl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
ZINC000004695920
ZINC000004761100
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