Vitas-M small molecule compound
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Catalog ID
STK534218
SMILES COc1cc(ccc1OC)CCn1c2nc3ccccc3nc2c(c1N)C(=O)NCc1ccc2c(c1)OCO2
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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 C29H27N5O5 MW 525.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N5O5/c1-36-21-9-7-17(13-23(21)37-2)11-12-34-27(30)25(26-28(34)33-20-6-4-3-5-19(20)32-26)29(35)31-15-18-8-10-22-24(14-18)39-16-38-22/h3-10,13-14H,11-12,15-16,30H2,1-2H3,(H,31,35)InChIKey
NLRYBUXFMOXFMC-UHFFFAOYSA-NSynonyms
2aminoN(13benzodioxol5ylmethyl)1(2(34dimethoxyphenyl)ethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
2AMINON(13BENZODIOXOL5YLMETHYL)1(2(34DIMETHOXYPHENYL)ETHYL)PYRROLO(32B)QUINOXALINE3CARBOXAMIDE
2aminoN(benzo(d)(13)dioxol5ylmethyl)1(34dimethoxyphenethyl)1Hpyrrolo(23b)quinoxaline3carboxamide
COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC6=C(C=C5)OCO6)N)OC
InChI=1SC29H27N5O5c136219717(1323(21)372)11123427(30)25(2628(34)3320643519(20)3226)29(35)3115188102224(1418)39163822h3101314H1112151630H212H3(H3135)
MFCD02161852
ZINC000002290311
ZINC02290311
ZINC2290311
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