Vitas-M small molecule compound

propyl 4-[2-amino-3-(heptylcarbamoyl)-1H-pyrrolo[2,3-b]quinoxalin-1-yl]benzoate

Catalog ID
STK639402
SMILES CCCCCCCNC(=O)c1c(N)n(c2c1nc1ccccc1n2)c1ccc(cc1)C(=O)OCCC

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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 C28H33N5O3 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O3/c1-3-5-6-7-10-17-30-27(34)23-24-26(32-22-12-9-8-11-21(22)31-24)33(25(23)29)20-15-13-19(14-16-20)28(35)36-18-4-2/h8-9,11-16H,3-7,10,17-18,29H2,1-2H3,(H,30,34)
InChIKey
XODZEEHIFIRHLW-UHFFFAOYSA-N
Synonyms
843629-82-3
CCCCCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)C(=O)OCCC)N
propyl4(2amino3(heptylcarbamoyl)1Hpyrrolo(23b)quinoxalin1yl)benzoate
PROPYL4(2AMINO3(HEPTYLCARBAMOYL)PYRROLO(32B)QUINOXALIN1YL)BENZOATE
Registry IDs
MFCD04014079
ZINC000097953005
ZINC97953005

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Available files

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