Vitas-M small molecule compound
N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-2-{[5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-benzoxazol-2-yl]sulfanyl}acetamide
Catalog ID
STK665778
SMILES O=C(NCc1ccc2c(c1)CCC(=O)N2)CSc1nc2c(o1)ccc(c2)C12CC3CC(C2)CC(C1)C3
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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 C29H31N3O3S MW 501.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O3S/c33-26-6-2-21-10-17(1-4-23(21)31-26)15-30-27(34)16-36-28-32-24-11-22(3-5-25(24)35-28)29-12-18-7-19(13-29)9-20(8-18)14-29/h1,3-5,10-11,18-20H,2,6-9,12-16H2,(H,30,34)(H,31,33)InChIKey
YOTPIYAWAHFZFJ-UHFFFAOYSA-NSynonyms
2((5(1adamantyl)13benzoxazol2yl)sulfanyl)N((2oxo34dihydro1Hquinolin6yl)methyl)acetamide
C1CC(=O)NC2=C1C=C(C=C2)CNC(=O)CSC3=NC4=C(O3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6
InChI=1SC29H31N3O3Sc332662211017(1423(21)3126)153027(34)16362832241122(3525(24)3528)291218719(1329)920(818)1429h13510111820H2691216H2(H3034)(H3133)
MFCD12033944
N((2oxo1234tetrahydroquinolin6yl)methyl)2((5(tricyclo(3311~37~)dec1yl)13benzoxazol2yl)sulfanyl)acetamide
ZINC000015108541
ZINC15108541
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