Vitas-M small molecule compound

[6,8-dimethyl-2-(pyridin-4-yl)quinolin-4-yl]{4-[(4-nitrophenyl)sulfonyl]piperazin-1-yl}methanone

Catalog ID
STK461582
SMILES Cc1cc(C)c2c(c1)c(cc(n2)c1ccncc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[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 C27H25N5O5S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S/c1-18-15-19(2)26-23(16-18)24(17-25(29-26)20-7-9-28-10-8-20)27(33)30-11-13-31(14-12-30)38(36,37)22-5-3-21(4-6-22)32(34)35/h3-10,15-17H,11-14H2,1-2H3
InChIKey
UGGUQNLTYUOOBV-UHFFFAOYSA-N
Synonyms

(68dimethyl2(pyridin4yl)quinolin4yl)(4((4nitrophenyl)sulfonyl)piperazin1yl)methanone
(68DIMETHYL2PYRIDIN4YLQUINOLIN4YL)(4(4NITROPHENYL)SULFONYLPIPERAZIN1YL)METHANONE
68DIMETHYL2(4PYRIDYL)(4QUINOLYL)4((4NITROPHENYL)SULFONYL)PIPERAZINYLKETONE
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)(N+)(=O)(O))C
Cc1cc(C)c2c(c1)c(cc(n2)c1ccncc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC27H25N5O5Sc1181519(2)2623(1618)24(1725(2926)20792810820)27(33)30111331(141230)38(3637)225321(4622)32(34)35h3101517H1114H212H3
MFCD05999785
ZINC000001073594
ZINC1073594

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Available files

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