Vitas-M small molecule compound

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

Catalog ID
STK157758
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccccc1)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 C27H32N4O5S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5S/c32-27(28-26-21-13-18-12-19(15-21)16-22(26)14-18)20-6-7-24(25(17-20)31(33)34)29-8-10-30(11-9-29)37(35,36)23-4-2-1-3-5-23/h1-7,17-19,21-22,26H,8-16H2,(H,28,32)
InChIKey
NQFSRQBJFNMGDF-UHFFFAOYSA-N
Synonyms
956204-34-5
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)NC1C2CC3CC1CC(C2)C3
3nitro4(4(phenylsulfonyl)piperazin1yl)N(tricyclo(3311~37~)dec2yl)benzamide
956204345
C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC3C4CC5CC(C4)CC3C5)(N+)(=O)(O))S(=O)(=O)C6=CC=CC=C6
InChI=1SC27H32N4O5Sc3227(28262113181219(1521)1622(26)1418)206724(25(1720)31(33)34)2981030(11929)37(3536)234213523h171719212226H816H2(H2832)
MFCD03692183
N((1r3r)adamantan2yl)3nitro4(4(phenylsulfonyl)piperazin1yl)benzamide
N(2ADAMANTYL)4(4(BENZENESULFONYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000008818388
ZINC08818388
ZINC8818388

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Available files

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