Vitas-M small molecule compound

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

Catalog ID
STK920914
SMILES COc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)/N=C/c1cccc(c1)OC

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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 C25H21N5O4S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O4S/c1-33-17-10-12-19(13-11-17)35(31,32)23-22-25(29-21-9-4-3-8-20(21)28-22)30(24(23)26)27-15-16-6-5-7-18(14-16)34-2/h3-15H,26H2,1-2H3/b27-15+
InChIKey
SBLARDBODXBDKB-JFLMPSFJSA-N
Synonyms
846065-94-9
(E)N1(3methoxybenzylidene)3((4methoxyphenyl)sulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
1((E)(3METHOXYPHENYL)METHYLIDENEAMINO)3(4METHOXYPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN2AMINE
846065949
COC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC(=CC=C5)OC)N
COc1ccc(cc1)S(=O)(=O)c1c(N)n(c2c1nc1ccccc1n2)N=Cc1cccc(c1)OC
InChI=1SC25H21N5O4Sc13317101219(131117)35(3132)232225(2921943820(21)2822)30(24(23)26)27151665718(1416)342h315H26H212H3b2715+
MFCD04174131
N~1~((E)(3methoxyphenyl)methylidene)3((4methoxyphenyl)sulfonyl)1Hpyrrolo(23b)quinoxaline12diamine
N1((E)(3METHOXYPHENYL)METHYLIDENE)3((4METHOXYPHENYL)SULFONYL)1HPYRROLO(23B)QUINOXALINE12DIAMINE
ZINC000002429712
ZINC33368991

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Available files

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