Vitas-M small molecule compound

N-[(9-hydroxy-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]non-3-yl)carbonothioyl]benzamide

Catalog ID
STK645174
SMILES OC1C2(C)CN(CC1(C)CN(C2)C)C(=S)NC(=O)c1ccccc1

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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 C18H25N3O2S MW 347.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O2S/c1-17-9-20(3)10-18(2,15(17)23)12-21(11-17)16(24)19-14(22)13-7-5-4-6-8-13/h4-8,15,23H,9-12H2,1-3H3,(H,19,22,24)
InChIKey
IBVLDUKDULBWAB-UHFFFAOYSA-N
Synonyms
1171766-02-1
1171766021
CC12CN(CC(C1O)(CN(C2)C(=S)NC(=O)C3=CC=CC=C3)C)C
InChI=1SC18H25N3O2Sc117920(3)1018(215(17)23)1221(1117)16(24)1914(22)137546813h481523H912H213H3(H192224)
MFCD12201399
N((1R5S9s)9hydroxy157trimethyl37diazabicyclo(331)nonane3carbonothioyl)benzamide
N((9hydroxy157trimethyl37diazabicyclo(331)non3yl)carbonothioyl)benzamide
N(9hydroxy157trimethyl37diazabicyclo(331)nonane3carbothioyl)benzamide
ZINC000012389719

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.