Vitas-M small molecule compound
1-(4-chlorobenzyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK455514
SMILES S=C(Nc1ccn(n1)C12CC3CC(C2)CC(C1)C3)NCc1ccc(cc1)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 C21H25ClN4S MW 400.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4S/c22-18-3-1-14(2-4-18)13-23-20(27)24-19-5-6-26(25-19)21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,15-17H,7-13H2,(H2,23,24,25,27)InChIKey
LDCXVIUEDSWLBS-UHFFFAOYSA-NSynonyms
((1ADAMANTANYLPYRAZOL3YL)AMINO)(((4CHLOROPHENYL)METHYL)AMINO)METHANE1THIONE
1(1(1ADAMANTYL)PYRAZOL3YL)3((4CHLOROPHENYL)METHYL)THIOUREA
1(4chlorobenzyl)3(1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)thiourea
C1C2CC3CC1CC(C2)(C3)N4C=CC(=N4)NC(=S)NCC5=CC=C(C=C5)Cl
InChI=1SC21H25ClN4Sc22183114(2418)132320(27)24195626(2519)211015716(1121)917(815)1221h161517H713H2(H223242527)
ZINC000005041586
ZINC05041586
ZINC5041586
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