Vitas-M small molecule compound
1-(5-chloro-2-methoxyphenyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK454898
SMILES COc1ccc(cc1NC(=S)Nc1ccn(n1)C12CC3CC(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 C21H25ClN4OS MW 416.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN4OS/c1-27-18-3-2-16(22)9-17(18)23-20(28)24-19-4-5-26(25-19)21-10-13-6-14(11-21)8-15(7-13)12-21/h2-5,9,13-15H,6-8,10-12H2,1H3,(H2,23,24,25,28)InChIKey
NVLQWBPEMZFJDS-UHFFFAOYSA-NSynonyms
((1ADAMANTANYLPYRAZOL3YL)AMINO)((5CHLORO2METHOXYPHENYL)AMINO)METHANE1THIONE
1(1(1ADAMANTYL)PYRAZOL3YL)3(5CHLORO2METHOXYPHENYL)THIOUREA
1(5chloro2methoxyphenyl)3(1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)thiourea
COC1=C(C=C(C=C1)Cl)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4
InChI=1SC21H25ClN4OSc127183216(22)917(18)2320(28)24194526(2519)211013614(1121)815(713)1221h2591315H681012H21H3(H223242528)
ZINC000005041523
ZINC05041523
ZINC5041523
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