Vitas-M small molecule compound

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

Catalog ID
STK157775
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)NC12CC3CC(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 C27H32N4O5S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5S/c32-26(28-27-16-19-12-20(17-27)14-21(13-19)18-27)22-6-7-24(25(15-22)31(33)34)29-8-10-30(11-9-29)37(35,36)23-4-2-1-3-5-23/h1-7,15,19-21H,8-14,16-18H2,(H,28,32)
InChIKey
NFTKVZUEXPMQMS-UHFFFAOYSA-N
Synonyms
591736-52-6
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)NC12CC3CC(C2)CC(C1)C3
3nitro4(4(phenylsulfonyl)piperazin1yl)N(tricyclo(3311~37~)dec1yl)benzamide
591736526
C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)(N+)(=O)(O))S(=O)(=O)C6=CC=CC=C6
InChI=1SC27H32N4O5Sc3226(282716191220(1727)1421(1319)1827)226724(25(1522)31(33)34)2981030(11929)37(3536)234213523h17151921H8141618H2(H2832)
MFCD03692643
N((3s5s7s)adamantan1yl)3nitro4(4(phenylsulfonyl)piperazin1yl)benzamide
N(1ADAMANTYL)3NITRO4(4(PHENYLSULFONYL)1PIPERAZINYL)BENZAMIDE
N(1ADAMANTYL)4(4(BENZENESULFONYL)PIPERAZIN1YL)3NITROBENZAMIDE
ZINC000009046261
ZINC09046261
ZINC9046261

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Available files

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