Vitas-M small molecule compound
N-{[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
Catalog ID
STL355820
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1Cl)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 C27H37ClN4O2S MW 517.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37ClN4O2S/c1-2-3-25(34)32-8-6-31(7-9-32)23-5-4-21(13-22(23)28)29-26(35)30-24(33)17-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,13,18-20H,2-3,6-12,14-17H2,1H3,(H2,29,30,33,35)InChIKey
JGSQWKNBYKEHBT-UHFFFAOYSA-NSynonyms
593239-91-92((3r5r7r)adamantan1yl)N((4(4butyrylpiperazin1yl)3chlorophenyl)carbamothioyl)acetamide
2(1ADAMANTYL)N((4(4BUTANOYLPIPERAZIN1YL)3CHLOROPHENYL)CARBAMOTHIOYL)ACETAMIDE
593239919
CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl
InChI=1SC27H37ClN4O2Sc12325(34)328631(7932)235421(1322(23)28)2926(35)3024(33)172714181019(1527)1220(1118)1627h45131820H236121417H21H3(H229303335)
N((4(4butanoylpiperazin1yl)3chlorophenyl)carbamothioyl)2(tricyclo(3311~37~)dec1yl)acetamide
ZINC000005946030
ZINC05946030
ZINC5946030
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