Vitas-M small molecule compound

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

Catalog ID
STK588265
SMILES Cc1ccc(cc1)C(=O)NCCn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1ccc(cc1)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/c1-17-7-11-19(12-8-17)27(33)29-15-16-32-25(28)24(36(34,35)20-13-9-18(2)10-14-20)23-26(32)31-22-6-4-3-5-21(22)30-23/h3-14H,15-16,28H2,1-2H3,(H,29,33)
InChIKey
VANKZDSURGDAPG-UHFFFAOYSA-N
Synonyms
381184-48-1
381184481
CC1=CC=C(C=C1)C(=O)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=C(C=C5)C)N
InChI=1SC27H25N5O3Sc11771119(12817)27(33)2915163225(28)24(36(3435)2013918(2)101420)2326(32)3122643521(22)3023h314H151628H212H3(H2933)
MFCD02993147
N(2(2amino3((4methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)ethyl)4methylbenzamide
N(2(2AMINO3(4METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)ETHYL)4METHYLBENZAMIDE
N(2(2amino3tosyl1Hpyrrolo(23b)quinoxalin1yl)ethyl)4methylbenzamide
ZINC000002341693
ZINC02341693
ZINC2341693

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Available files

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