Vitas-M small molecule compound
1-(3,4-dimethoxyphenyl)-3-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1H-pyrazol-3-yl]thiourea
Catalog ID
STK456360
SMILES COc1cc(ccc1OC)NC(=S)Nc1ccn(n1)C12CC3CC(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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-27-18-4-3-17(10-19(18)28-2)23-21(29)24-20-5-6-26(25-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16H,7-9,11-13H2,1-2H3,(H2,23,24,25,29)InChIKey
NWXQHHSTOKFNMS-UHFFFAOYSA-NSynonyms
((1ADAMANTANYLPYRAZOL3YL)AMINO)((34DIMETHOXYPHENYL)AMINO)METHANE1THIONE
1(1(1ADAMANTYL)PYRAZOL3YL)3(34DIMETHOXYPHENYL)THIOUREA
1(34dimethoxyphenyl)3(1(tricyclo(3311~37~)dec1yl)1Hpyrazol3yl)thiourea
COC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)OC
InChI=1SC22H28N4O2Sc127184317(1019(18)282)2321(29)24205626(2520)221114715(1222)916(814)1322h36101416H791113H212H3(H223242529)
ZINC000005041468
ZINC05041468
ZINC5041468
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