Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-3-pentyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK920335
SMILES CCCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-5-8-13-31-22(4-2)30-25-23(27(31)33)24-26(29-19-10-7-6-9-18(19)28-24)32(25)15-17-11-12-20-21(14-17)35-16-34-20/h6-7,9-12,14H,3-5,8,13,15-16H2,1-2H3InChIKey
WXAYXPXWCCAXFV-UHFFFAOYSA-NSynonyms
380592-03-011(13benzodioxol5ylmethyl)2ethyl3pentyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)2ethyl3pentyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
380592030
CCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)CC
InChI=1SC27H27N5O3c1358133122(42)302523(27(31)33)2426(29191076918(19)2824)32(25)151711122021(1417)35163420h6791214H358131516H212H3
MFCD02990873
ZINC000002246949
ZINC02246949
ZINC2246949
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