Vitas-M small molecule compound
3-{2-ammonio-3-[(2-methylpropoxy)carbonyl]-1H-pyrrolo[2,3-b]quinoxalin-1-yl}phenolate
Catalog ID
STK570248
SMILES CC(COC(=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 C21H20N4O3 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3/c1-12(2)11-28-21(27)17-18-20(24-16-9-4-3-8-15(16)23-18)25(19(17)22)13-6-5-7-14(26)10-13/h3-10,12,26H,11,22H2,1-2H3InChIKey
TXLDZUIKEWAEFR-UHFFFAOYSA-NSynonyms
836633-48-82METHYLPROPYL2AMINO1(3HYDROXYPHENYL)1HPYRROLO(23B)QUINOXALINE3CARBOXYLATE
2METHYLPROPYL2AMINO1(3HYDROXYPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
3(2ammonio3((2methylpropoxy)carbonyl)1Hpyrrolo(23b)quinoxalin1yl)phenolate
3(2AZANIUMYL3(2METHYLPROPOXYCARBONYL)PYRROLO(32B)QUINOXALIN1YL)PHENOLATE
836633488
CC(C)COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=CC=C4)(O))(NH3+)
CC(COC(=O)c1c2nc3ccccc3nc2n(c1(NH3+))c1cccc(c1)(O))C
InChI=1SC21H20N4O3c112(2)112821(27)171820(2416943815(16)2318)25(19(17)22)1365714(26)1013h3101226H1122H212H3
MFCD03689253
ZINC000001246094
ZINC01246094
ZINC1246094
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