Vitas-M small molecule compound
N-{[2-(3-chloro-4-methoxyphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK236940
SMILES COc1ccc(cc1Cl)n1nc2c(n1)cc(cc2)NC(=S)NC(=O)CC12CC3CC(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 C26H28ClN5O2S MW 510.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5O2S/c1-34-23-5-3-19(10-20(23)27)32-30-21-4-2-18(9-22(21)31-32)28-25(35)29-24(33)14-26-11-15-6-16(12-26)8-17(7-15)13-26/h2-5,9-10,15-17H,6-8,11-14H2,1H3,(H2,28,29,33,35)InChIKey
GIIGBODCOOKTJU-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((2(3CHLORO4METHOXYPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)ACETAMIDE
COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5)Cl
InChI=1SC26H28ClN5O2Sc134235319(1020(23)27)3230214218(922(21)3132)2825(35)2924(33)14261115616(1226)817(715)1326h259101517H681114H21H3(H228293335)
MFCD03906821
N((2(3chloro4methoxyphenyl)2Hbenzotriazol5yl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000009190403
ZINC09190403
ZINC9190403
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