Vitas-M small molecule compound
3-(4-chlorobenzyl)-11-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL146072
SMILES Clc1ccc(cc1)Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc2c(c1)OCCO2
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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 C28H20ClN5O3 MW 509.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20ClN5O3/c1-16-30-26-24(28(35)33(16)15-17-6-8-18(29)9-7-17)25-27(32-21-5-3-2-4-20(21)31-25)34(26)19-10-11-22-23(14-19)37-13-12-36-22/h2-11,14H,12-13,15H2,1H3InChIKey
CIDJUJBFXJZKLN-UHFFFAOYSA-NSynonyms
836631-27-73(4chlorobenzyl)11(23dihydro14benzodioxin6yl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
3(4chlorobenzyl)11(23dihydrobenzo(b)(14)dioxin6yl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
836631277
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC6=C(C=C5)OCCO6)C(=O)N1CC7=CC=C(C=C7)Cl
InChI=1SC28H20ClN5O3c116302624(28(35)33(16)15176818(29)9717)2527(3221532420(21)3125)34(26)1910112223(1419)3713123622h21114H121315H21H3
MFCD03688869
ZINC000008871117
ZINC08871117
ZINC8871117
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