Vitas-M small molecule compound
3-{2-ammonio-3-[(3-methylbutoxy)carbonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}phenolate
Catalog ID
STL055019
SMILES CC(CCOC(=O)c1c2nc3ccccc3nc2n(c1[NH3+])c1cccc(c1)[O-])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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-13(2)10-11-29-22(28)18-19-21(25-17-9-4-3-8-16(17)24-19)26(20(18)23)14-6-5-7-15(27)12-14/h3-9,12-13,27H,10-11,23H2,1-2H3InChIKey
REUFQFSSDILIFW-UHFFFAOYSA-NSynonyms
836645-79-53(2ammonio3((3methylbutoxy)carbonyl)1Hpyrrolo(23b)quinoxalin1yl)phenolate
3(2AZANIUMYL3(3METHYLBUTOXYCARBONYL)PYRROLO(32B)QUINOXALIN1YL)PHENOLATE
3METHYLBUTYL2AMINO1(3HYDROXYPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
836645795
CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)(O))(NH3+)
CC(CCOC(=O)c1c2nc3ccccc3nc2n(c1(NH3+))c1cccc(c1)(O))C
InChI=1SC22H22N4O3c113(2)10112922(28)181921(2517943816(17)2419)26(20(18)23)1465715(27)1214h39121327H101123H212H3
MFCD03691595
ZINC000005068017
ZINC05068017
ZINC5068017
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