Vitas-M small molecule compound
5-(3,4-dimethoxyphenyl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Catalog ID
STL300053
SMILES COc1cc(ccc1OC)C1CC(=O)n2c(S1)nc(n2)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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-28-17-4-3-16(8-18(17)29-2)19-9-20(27)26-22(30-19)24-21(25-26)23-10-13-5-14(11-23)7-15(6-13)12-23/h3-4,8,13-15,19H,5-7,9-12H2,1-2H3InChIKey
DFIHDWJBOHEMPH-UHFFFAOYSA-NSynonyms
442556-12-92((3r5r7r)adamantan1yl)5(34dimethoxyphenyl)5H(124)triazolo(51b)(13)thiazin7(6H)one
2(1ADAMANTYL)5(34DIMETHOXYPHENYL)56DIHYDRO(124)TRIAZOLO(51B)(13)THIAZIN7ONE
2ADAMANTANYL5(34DIMETHOXYPHENYL)5H6H124TRIAZOLO(51B)13THIAZAPERHYDROIN7ONE
442556129
5(34dimethoxyphenyl)2(tricyclo(3311~37~)dec1yl)56dihydro7H(124)triazolo(51b)(13)thiazin7one
COC1=C(C=C(C=C1)C2CC(=O)N3C(=NC(=N3)C45CC6CC(C4)CC(C6)C5)S2)OC
InChI=1SC23H27N3O3Sc128174316(818(17)292)19920(27)2622(3019)2421(2526)231013514(1123)715(613)1223h348131519H57912H212H3
ZINC000004936991
ZINC000004936995
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