Vitas-M small molecule compound

methyl 4-[(E)-({2-amino-3-[(3-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}imino)methyl]benzoate

Catalog ID
STK920876
SMILES COC(=O)c1ccc(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 C26H21N5O4S MW 499.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21N5O4S/c1-16-6-5-7-19(14-16)36(33,34)23-22-25(30-21-9-4-3-8-20(21)29-22)31(24(23)27)28-15-17-10-12-18(13-11-17)26(32)35-2/h3-15H,27H2,1-2H3/b28-15+
InChIKey
CCCSLPAGNOPGAM-RWPZCVJISA-N
Synonyms
848672-15-1
(E)methyl4(((2amino3(mtolylsulfonyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
848672151
CC1=CC(=CC=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)N=CC5=CC=C(C=C5)C(=O)OC)N
COC(=O)c1ccc(cc1)C=Nn1c2nc3ccccc3nc2c(c1N)S(=O)(=O)c1cccc(c1)C
InChI=1SC26H21N5O4Sc11665719(1416)36(3334)232225(3021943820(21)2922)31(24(23)27)281517101218(131117)26(32)352h315H27H212H3b2815+
methyl4((E)((2amino3((3methylphenyl)sulfonyl)1Hpyrrolo(23b)quinoxalin1yl)imino)methyl)benzoate
METHYL4((E)(2AMINO3(3METHYLPHENYL)SULFONYLPYRROLO(32B)QUINOXALIN1YL)IMINOMETHYL)BENZOATE
MFCD04190694
ZINC000002426149
ZINC33368865

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Available files

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