Vitas-M small molecule compound

N-(2-{2-amino-3-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}ethyl)-3-methylbenzamide

Catalog ID
STL240684
SMILES Cc1ccc(cc1)S(=O)(=O)c1c2nc3ccccc3nc2n(c1N)CCNC(=O)c1cccc(c1)C

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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-17-10-12-20(13-11-17)36(34,35)24-23-26(31-22-9-4-3-8-21(22)30-23)32(25(24)28)15-14-29-27(33)19-7-5-6-18(2)16-19/h3-13,16H,14-15,28H2,1-2H3,(H,29,33)
InChIKey
FKYWOBCCGHGNMH-UHFFFAOYSA-N
Synonyms
381186-68-1
381186681
CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCNC(=O)C5=CC(=CC=C5)C)N
InChI=1SC27H25N5O3Sc117101220(131117)36(3435)242326(3122943821(22)3023)32(25(24)28)15142927(33)1975618(2)1619h31316H141528H212H3(H2933)
MFCD02993552
N(2(2amino3((4methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)ethyl)3methylbenzamide
N(2(2AMINO3(4METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)ETHYL)3METHYLBENZAMIDE
N(2(2amino3tosyl1Hpyrrolo(23b)quinoxalin1yl)ethyl)3methylbenzamide
ZINC000002420388
ZINC02420388
ZINC2420388

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Available files

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