Vitas-M small molecule compound

N-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}tricyclo[3.3.1.1~3,7~]decan-2-amine

Catalog ID
STK157700
SMILES [O-][N+](=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)S(=O)(=O)C

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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 C21H30N4O4S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O4S/c1-30(28,29)24-6-4-23(5-7-24)18-2-3-20(25(26)27)19(13-18)22-21-16-9-14-8-15(11-16)12-17(21)10-14/h2-3,13-17,21-22H,4-12H2,1H3
InChIKey
BDZMHFIXGXREGK-UHFFFAOYSA-N
Synonyms
642430-79-3
(1r3r5r7r)N(5(4(methylsulfonyl)piperazin1yl)2nitrophenyl)adamantan2amine
(O)(N+)(=O)c1ccc(cc1NC1C2CC3CC1CC(C2)C3)N1CCN(CC1)S(=O)(=O)C
642430793
CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NC3C4CC5CC(C4)CC3C5
InChI=1SC21H30N4O4Sc130(2829)246423(5724)182320(25(26)27)19(1318)222116914815(1116)1217(21)1014h2313172122H412H21H3
MFCD03693724
N(5(4(methylsulfonyl)piperazin1yl)2nitrophenyl)tricyclo(3311~37~)decan2amine
N(5(4METHYLSULFONYLPIPERAZIN1YL)2NITROPHENYL)ADAMANTAN2AMINE
ZINC000008818372
ZINC08818372
ZINC8818372

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Available files

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