Vitas-M small molecule compound
N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STL089486
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)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 C27H38N4O2S MW 482.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N4O2S/c1-2-3-25(33)31-10-8-30(9-11-31)23-6-4-22(5-7-23)28-26(34)29-24(32)18-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-7,19-21H,2-3,8-18H2,1H3,(H2,28,29,32,34)InChIKey
RTENSESTWJPDNQ-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)N((4(4BUTANOYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)ACETAMIDE
CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4
InChI=1SC27H38N4O2Sc12325(33)3110830(91131)236422(5723)2826(34)2924(32)182715191220(1627)1421(1319)1727h471921H23818H21H3(H228293234)
MFCD05795863
N((4(4butanoylpiperazin1yl)phenyl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000033680208
ZINC33680208
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