Vitas-M small molecule compound

2-amino-1-(3-chloro-4-methylphenyl)-N-(3-phenylpropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide

Catalog ID
STK990345
SMILES O=C(c1c(N)n(c2c1nc1ccccc1n2)c1ccc(c(c1)Cl)C)NCCCc1ccccc1

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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 C27H24ClN5O MW 469.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O/c1-17-13-14-19(16-20(17)28)33-25(29)23(24-26(33)32-22-12-6-5-11-21(22)31-24)27(34)30-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16H,7,10,15,29H2,1H3,(H,30,34)
InChIKey
LBVXHNGHHLFOCK-UHFFFAOYSA-N
Synonyms

2amino1(3chloro4methylphenyl)N(3phenylpropyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2amino1(3chloro4methylphenyl)N(3phenylpropyl)pyrrolo(32b)quinoxaline3carboxamide
CC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCCC5=CC=CC=C5)N)Cl
InChI=1SC27H24ClN5Oc117131419(1620(17)28)3325(29)23(2426(33)322212651121(22)3124)27(34)3015710188324918h2689111416H7101529H21H3(H3034)
MFCD04168151
ZINC000006150528
ZINC06150528
ZINC6150528

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Available files

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