Vitas-M small molecule compound
N-{[2-(4-fluorophenyl)-6-methyl-2H-benzotriazol-5-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK236938
SMILES S=C(Nc1cc2nn(nc2cc1C)c1ccc(cc1)F)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 C26H28FN5OS MW 477.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28FN5OS/c1-15-6-22-23(31-32(30-22)20-4-2-19(27)3-5-20)10-21(15)28-25(34)29-24(33)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h2-6,10,16-18H,7-9,11-14H2,1H3,(H2,28,29,33,34)InChIKey
HWVSCOOPVZMKDZ-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((2(4FLUOROPHENYL)6METHYLBENZOTRIAZOL5YL)CARBAMOTHIOYL)ACETAMIDE
CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F
InChI=1SC26H28FN5OSc11562223(3132(3022)204219(27)3520)1021(15)2825(34)2924(33)14261116717(1226)918(816)1326h26101618H791114H21H3(H228293334)
MFCD03906819
N((2(4fluorophenyl)6methyl2Hbenzotriazol5yl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000009190399
ZINC09190399
ZINC9190399
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