Vitas-M small molecule compound
4-(5-chloro-2-methoxyphenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328982
SMILES COc1ccc(cc1n1c(S)nnc1C12CC3CC(C2)CC(C1)C3)Cl
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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 C19H22ClN3OS MW 375.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN3OS/c1-24-16-3-2-14(20)7-15(16)23-17(21-22-18(23)25)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,22,25)InChIKey
CCQJBUCYMFATRT-UHFFFAOYSA-NSynonyms
898057-16-43(1ADAMANTYL)4(5CHLORO2METHOXYPHENYL)1H124TRIAZOLE5THIONE
4(5chloro2methoxyphenyl)5(tricyclo(3311~37~)dec1yl)4H124triazole3thiol
898057164
COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C34CC5CC(C3)CC(C5)C4
InChI=1SC19H22ClN3OSc124163214(20)715(16)2317(212218(23)25)19811412(919)613(511)1019h2371113H46810H21H3(H2225)
MFCD06735601
ZINC000004708176
ZINC04708176
ZINC4708176
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Check stock on Vitas-MAvailable files
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