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Vitas-M small molecule compound

5-[4-(naphthalen-2-ylsulfonyl)piperazin-1-yl]-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline

Catalog ID
STK064284
SMILES CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2

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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 C32H38N4O4S MW 574.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N4O4S/c1-22(32-19-23-14-24(20-32)16-25(15-23)21-32)33-30-18-28(7-9-31(30)36(37)38)34-10-12-35(13-11-34)41(39,40)29-8-6-26-4-2-3-5-27(26)17-29/h2-9,17-18,22-25,33H,10-16,19-21H2,1H3
InChIKey
FPZBTYFOFVBFQI-UHFFFAOYSA-N
Synonyms

1(3((1(1ADAMANTYL)ETHYL)AMINO)4NITROPHENYL)4(2NAPHTHYLSULFONYL)PIPERAZINE
4(3((ADAMANTANYLETHYL)AMINO)4NITROPHENYL)1(2NAPHTHYLSULFONYL)PIPERAZINE
5(4(naphthalen2ylsulfonyl)piperazin1yl)2nitroN(1(tricyclo(3311~37~)dec1yl)ethyl)aniline
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6)(N+)(=O)(O)
CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)cccc2
InChI=1SC32H38N4O4Sc122(3219231424(2032)1625(1523)2132)33301828(7931(30)36(37)38)34101235(131134)41(3940)298626423527(26)1729h291718222533H10161921H21H3
MFCD02625975
N(1((1R3s)adamantan1yl)ethyl)5(4(naphthalen2ylsulfonyl)piperazin1yl)2nitroaniline
N(1(1ADAMANTYL)ETHYL)5(4NAPHTHALEN2YLSULFONYLPIPERAZIN1YL)2NITROANILINE
STK064284
ZINC000008385459
ZINC000008385462

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Available files

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