Vitas-M small molecule compound

pentyl 1-butyl-2-{[(4-chlorophenyl)carbonyl]amino}-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Catalog ID
STK920186
SMILES CCCCCOC(=O)c1c(NC(=O)c2ccc(cc2)Cl)n(c2c1nc1ccccc1n2)CCCC

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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 C27H29ClN4O3 MW 493.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29ClN4O3/c1-3-5-9-17-35-27(34)22-23-25(30-21-11-8-7-10-20(21)29-23)32(16-6-4-2)24(22)31-26(33)18-12-14-19(28)15-13-18/h7-8,10-15H,3-6,9,16-17H2,1-2H3,(H,31,33)
InChIKey
WEVBAIJTGYUJIY-UHFFFAOYSA-N
Synonyms
373375-81-6
373375816
CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCCC)NC(=O)C4=CC=C(C=C4)Cl
InChI=1SC27H29ClN4O3c1359173527(34)222325(302111871020(21)2923)32(16642)24(22)3126(33)18121419(28)151318h781015H3691617H212H3(H3133)
MFCD01947238
pentyl1butyl2(((4chlorophenyl)carbonyl)amino)1Hpyrrolo(23b)quinoxaline3carboxylate
PENTYL1BUTYL2((4CHLOROBENZOYL)AMINO)1HPYRROLO(23B)QUINOXALINE3CARBOXYLATE
PENTYL1BUTYL2((4CHLOROBENZOYL)AMINO)PYRROLO(32B)QUINOXALINE3CARBOXYLATE
pentyl1butyl2(4chlorobenzamido)1Hpyrrolo(23b)quinoxaline3carboxylate
ZINC000002343586
ZINC02343586
ZINC2343586

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.