Vitas-M small molecule compound

2-nitro-5-{4-[(3-nitrophenyl)sulfonyl]piperazin-1-yl}-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline

Catalog ID
STK148752
SMILES CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]

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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 C28H35N5O6S MW 569.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O6S/c1-19(28-16-20-11-21(17-28)13-22(12-20)18-28)29-26-15-23(5-6-27(26)33(36)37)30-7-9-31(10-8-30)40(38,39)25-4-2-3-24(14-25)32(34)35/h2-6,14-15,19-22,29H,7-13,16-18H2,1H3
InChIKey
TWSIHHOLEDLUNX-UHFFFAOYSA-N
Synonyms

2nitro5(4((3nitrophenyl)sulfonyl)piperazin1yl)N(1(tricyclo(3311~37~)dec1yl)ethyl)aniline
CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CC(=C6)(N+)(=O)(O))(N+)(=O)(O)
CC(C12CC3CC(C2)CC(C1)C3)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)S(=O)(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC28H35N5O6Sc119(2816201121(1728)1322(1220)1828)29261523(5627(26)33(36)37)307931(10830)40(3839)2542324(1425)32(34)35h261415192229H7131618H21H3
MFCD02627820
N(1(1ADAMANTYL)ETHYL)2NITRO5(4(3NITROPHENYL)SULFONYLPIPERAZIN1YL)ANILINE
ZINC000006177232
ZINC000006177458

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Available files

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