Vitas-M small molecule compound
N-{[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK236931
SMILES O=C(CC12CC3CC(C2)CC(C1)C3)NC(=S)Nc1ccc2c(c1)nc(o2)c1cc(I)ccc1Cl
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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 C26H25ClIN3O2S MW 605.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClIN3O2S/c27-20-3-1-17(28)8-19(20)24-30-21-9-18(2-4-22(21)33-24)29-25(34)31-23(32)13-26-10-14-5-15(11-26)7-16(6-14)12-26/h1-4,8-9,14-16H,5-7,10-13H2,(H2,29,31,32,34)InChIKey
NKPMLGZUWZIRLA-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((2(2CHLORO5IODOPHENYL)13BENZOXAZOL5YL)CARBAMOTHIOYL)ACETAMIDE
C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=CC5=C(C=C4)OC(=N5)C6=C(C=CC(=C6)I)Cl
InChI=1SC26H25ClIN3O2Sc27203117(28)819(20)243021918(2422(21)3324)2925(34)3123(32)13261014515(1126)716(614)1226h14891416H571013H2(H229313234)
MFCD03906811
N((2(2chloro5iodophenyl)13benzoxazol5yl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000100362937
ZINC100362937
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