Vitas-M small molecule compound
3-[2-amino-3-(butylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoic acid
Catalog ID
STK534579
SMILES CCCCNC(=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 C22H21N5O3 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O3/c1-2-3-11-24-21(28)17-18-20(26-16-10-5-4-9-15(16)25-18)27(19(17)23)14-8-6-7-13(12-14)22(29)30/h4-10,12H,2-3,11,23H2,1H3,(H,24,28)(H,29,30)InChIKey
GRWAXPDJLOKYIK-UHFFFAOYSA-NSynonyms
3(2amino3(butylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoicacid
3(2AMINO3(BUTYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)BENZOICACID
CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=CC(=C4)C(=O)O)N
InChI=1SC22H21N5O3c123112421(28)171820(26161054915(16)2518)27(19(17)23)1486713(1214)22(29)30h41012H231123H21H3(H2428)(H2930)
MFCD02986823
ZINC000002355167
ZINC2355167
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