Vitas-M small molecule compound

3-[2-ammonio-3-(cyclopentylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]phenolate

Catalog ID
STL051358
SMILES [O-]c1cccc(c1)n1c2nc3ccccc3nc2c(c1[NH3+])C(=O)NC1CCCC1

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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 C22H21N5O2 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O2/c23-20-18(22(29)24-13-6-1-2-7-13)19-21(26-17-11-4-3-10-16(17)25-19)27(20)14-8-5-9-15(28)12-14/h3-5,8-13,28H,1-2,6-7,23H2,(H,24,29)
InChIKey
QNOVYPFVJDKYJB-UHFFFAOYSA-N
Synonyms
840455-67-6
(O)c1cccc(c1)n1c2nc3ccccc3nc2c(c1(NH3+))C(=O)NC1CCCC1
2AMINONCYCLOPENTYL1(3HYDROXYPHENYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
3(2ammonio3(cyclopentylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)phenolate
3(2AZANIUMYL3(CYCLOPENTYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)PHENOLATE
840455676
C1CCC(C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC(=CC=C5)(O))(NH3+)
InChI=1SC22H21N5O2c232018(22(29)2413612713)1921(261711431016(17)2519)27(20)1485915(28)1214h3581328H126723H2(H2429)
MFCD03693970
ZINC000001270695
ZINC01270695
ZINC1270695

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Available files

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