Vitas-M small molecule compound
3-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-11-(4-methoxyphenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714275
SMILES CCc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1c(n2c2ccc(cc2)OC)nc2c(n1)cccc2
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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 C29H23N5O4 MW 505.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N5O4/c1-3-24-32-27-25(29(35)33(24)15-17-8-13-22-23(14-17)38-16-37-22)26-28(31-21-7-5-4-6-20(21)30-26)34(27)18-9-11-19(36-2)12-10-18/h4-14H,3,15-16H2,1-2H3InChIKey
HRWYPOKMPYYYJE-UHFFFAOYSA-NSynonyms
3(13benzodioxol5ylmethyl)2ethyl11(4methoxyphenyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(benzo(d)(13)dioxol5ylmethyl)2ethyl11(4methoxyphenyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
CCC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)OC)C(=O)N1CC6=CC7=C(C=C6)OCO7
InChI=1SC29H23N5O4c1324322725(29(35)33(24)15178132223(1417)38163722)2628(3121754620(21)3026)34(27)1891119(362)121018h414H31516H212H3
MFCD02991099
ZINC000002269098
ZINC02269098
ZINC2269098
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