Vitas-M small molecule compound

octyl 2-amino-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Catalog ID
STK990028
SMILES C=CCn1c(N)c(c2c1nc1ccccc1n2)C(=O)OCCCCCCCC

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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 C22H28N4O2 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2/c1-3-5-6-7-8-11-15-28-22(27)18-19-21(26(14-4-2)20(18)23)25-17-13-10-9-12-16(17)24-19/h4,9-10,12-13H,2-3,5-8,11,14-15,23H2,1H3
InChIKey
OSIWFMVIBAZKKW-UHFFFAOYSA-N
Synonyms

CCCCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC=C)N
InChI=1SC22H28N4O2c13567811152822(27)181921(26(1442)20(18)23)2517131091216(17)2419h49101213H235811141523H21H3
MFCD05694193
octyl2amino1(prop2en1yl)1Hpyrrolo(23b)quinoxaline3carboxylate
OCTYL2AMINO1PROP2ENYLPYRROLO(32B)QUINOXALINE3CARBOXYLATE
ZINC000097998512
ZINC97998512

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Available files

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