Vitas-M small molecule compound

4-[4-(ethylsulfonyl)piperazin-1-yl]-3-nitro-N-(tricyclo[3.3.1.1~3,7~]dec-2-yl)benzamide

Catalog ID
STK158004
SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(=O)NC1C2CC3CC1CC(C2)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 C23H32N4O5S MW 476.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H32N4O5S/c1-2-33(31,32)26-7-5-25(6-8-26)20-4-3-17(14-21(20)27(29)30)23(28)24-22-18-10-15-9-16(12-18)13-19(22)11-15/h3-4,14-16,18-19,22H,2,5-13H2,1H3,(H,24,28)
InChIKey
SODWQJIRWLTZRX-UHFFFAOYSA-N
Synonyms
591726-56-6
4(4(ethylsulfonyl)piperazin1yl)3nitroN(tricyclo(3311~37~)dec2yl)benzamide
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(=O)NC1C2CC3CC1CC(C2)C3
CCS(=O)(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)(N+)(=O)(O)
N((1r3r5r7r)adamantan2yl)4(4(ethylsulfonyl)piperazin1yl)3nitrobenzamide
N(2ADAMANTYL)4(4ETHYLSULFONYLPIPERAZIN1YL)3NITROBENZAMIDE
N2ADAMANTYL4(4(ETHYLSULFONYL)1PIPERAZINYL)3NITROBENZAMIDE
Registry IDs
MFCD03685563
ZINC000008683473
ZINC08683473
ZINC8683473

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Available files

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