Vitas-M small molecule compound

2-(2-nitro-5-{4-[(2,4,6-trimethylphenyl)sulfonyl]piperazin-1-yl}phenyl)-1,2,3,4-tetrahydroisoquinoline

Catalog ID
STK206146
SMILES Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[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 C28H32N4O4S MW 520.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S/c1-20-16-21(2)28(22(3)17-20)37(35,36)31-14-12-29(13-15-31)25-8-9-26(32(33)34)27(18-25)30-11-10-23-6-4-5-7-24(23)19-30/h4-9,16-18H,10-15,19H2,1-3H3
InChIKey
FCJRNEDMKYWHLP-UHFFFAOYSA-N
Synonyms

2(2nitro5(4((246trimethylphenyl)sulfonyl)piperazin1yl)phenyl)1234tetrahydroisoquinoline
2(2nitro5(4(246trimethylphenyl)sulfonylpiperazin1yl)phenyl)34dihydro1Hisoquinoline
CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4)C
Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC28H32N4O4Sc1201621(2)28(22(3)1720)37(3536)31141229(131531)258926(32(33)34)27(1825)30111023645724(23)1930h491618H101519H213H3
MFCD06666817
ZINC000009971945
ZINC09971945
ZINC9971945

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Available files

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