Vitas-M small molecule compound
11-(1,3-benzodioxol-5-ylmethyl)-3-cyclohexyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL337389
SMILES Cc1nc2n(Cc3ccc4c(c3)OCO4)c3c(c2c(=O)n1C1CCCCC1)nc1c(n3)cccc1
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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 C27H25N5O3 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3/c1-16-28-25-23(27(33)32(16)18-7-3-2-4-8-18)24-26(30-20-10-6-5-9-19(20)29-24)31(25)14-17-11-12-21-22(13-17)35-15-34-21/h5-6,9-13,18H,2-4,7-8,14-15H2,1H3InChIKey
WCLBPXUUJCKJKL-UHFFFAOYSA-NSynonyms
380892-10-411(13benzodioxol5ylmethyl)3cyclohexyl2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(benzo(d)(13)dioxol5ylmethyl)3cyclohexyl2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
380892104
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC5=CC6=C(C=C5)OCO6)C(=O)N1C7CCCCC7
InChI=1SC27H25N5O3c116282523(27(33)32(16)187324818)2426(30201065919(20)2924)31(25)141711122122(1317)35153421h5691318H24781415H21H3
MFCD02994926
ZINC000009076167
ZINC09076167
ZINC9076167
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