Vitas-M small molecule compound
N-{[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STK236939
SMILES S=C(Nc1cc2nn(nc2cc1Cl)c1ccc(cc1)C)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 C26H28ClN5OS MW 494.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5OS/c1-15-2-4-19(5-3-15)32-30-22-9-20(27)21(10-23(22)31-32)28-25(34)29-24(33)14-26-11-16-6-17(12-26)8-18(7-16)13-26/h2-5,9-10,16-18H,6-8,11-14H2,1H3,(H2,28,29,33,34)InChIKey
WNBAXGHFKTXQPN-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((6CHLORO2(4METHYLPHENYL)BENZOTRIAZOL5YL)CARBAMOTHIOYL)ACETAMIDE
CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)CC45CC6CC(C4)CC(C6)C5
InChI=1SC26H28ClN5OSc1152419(5315)323022920(27)21(1023(22)3132)2825(34)2924(33)14261116617(1226)818(716)1326h259101618H681114H21H3(H228293334)
MFCD03906820
N((6chloro2(4methylphenyl)2Hbenzotriazol5yl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000009190401
ZINC09190401
ZINC9190401
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