Vitas-M small molecule compound

N~1~-[(E)-(4-methylphenyl)methylidene]-3-[(3-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxaline-1,2-diamine

Catalog ID
STK920883
SMILES Cc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c(c1N)S(=O)(=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 C25H21N5O2S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O2S/c1-16-10-12-18(13-11-16)15-27-30-24(26)23(33(31,32)19-7-5-6-17(2)14-19)22-25(30)29-21-9-4-3-8-20(21)28-22/h3-15H,26H2,1-2H3/b27-15+
InChIKey
CFJFHCPNXBXPNX-JFLMPSFJSA-N
Synonyms
847185-31-3
(E)N1(4methylbenzylidene)3(mtolylsulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
1((E)(4METHYLPHENYL)METHYLIDENEAMINO)3(3METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN2AMINE
847185313
CC1=CC=C(C=C1)C=NN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC(=C5)C)N
Cc1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1cccc(c1)C
InChI=1SC25H21N5O2Sc116101218(131116)15273024(26)23(33(3132)1975617(2)1419)2225(30)2921943820(21)2822h315H26H212H3b2715+
MFCD04184898
N~1~((E)(4methylphenyl)methylidene)3((3methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
N1((E)(4METHYLPHENYL)METHYLIDENE)3((3METHYLPHENYL)SULFONYL)1HPYRROLO(23B)QUINOXALINE12DIAMINE
ZINC000002404136
ZINC2404135

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Available files

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