Vitas-M small molecule compound
3-[2-amino-3-(butoxycarbonyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid
Catalog ID
STK548818
SMILES CCCCOC(=O)c1c2nc3ccccc3nc2n(c1N)c1cccc(c1)C(=O)O
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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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-2-3-11-30-22(29)17-18-20(25-16-10-5-4-9-15(16)24-18)26(19(17)23)14-8-6-7-13(12-14)21(27)28/h4-10,12H,2-3,11,23H2,1H3,(H,27,28)InChIKey
PSWQESDZNIHBKN-UHFFFAOYSA-NSynonyms
497941-16-93(2amino3(butoxycarbonyl)1Hpyrrolo(23b)quinoxalin1yl)benzoicacid
3(2AMINO3BUTOXYCARBONYLPYRROLO(32B)QUINOXALIN1YL)BENZOICACID
497941169
CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C(=O)O)N
InChI=1SC22H20N4O4c123113022(29)171820(25161054915(16)2418)26(19(17)23)1486713(1214)21(27)28h41012H231123H21H3(H2728)
MFCD03301270
ZINC000002347472
ZINC2347472
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