Vitas-M small molecule compound
11-(4-chloro-3-nitrophenyl)-2-methyl-3-(4-methylbenzyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL051574
SMILES Cc1ccc(cc1)Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C27H19ClN6O3 MW 510.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN6O3/c1-15-7-9-17(10-8-15)14-32-16(2)29-25-23(27(32)35)24-26(31-21-6-4-3-5-20(21)30-24)33(25)18-11-12-19(28)22(13-18)34(36)37/h3-13H,14H2,1-2H3InChIKey
YEGMTAYBWGUJLI-UHFFFAOYSA-NSynonyms
716334-26-811(4chloro3nitrophenyl)2methyl3(4methylbenzyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
11(4chloro3nitrophenyl)2methyl3(4methylbenzyl)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
716334268
CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C4=NC5=CC=CC=C5N=C4N3C6=CC(=C(C=C6)Cl)(N+)(=O)(O))C
Cc1ccc(cc1)Cn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC27H19ClN6O3c1157917(10815)143216(2)292523(27(32)35)2426(3121643520(21)3024)33(25)18111219(28)22(1318)34(36)37h313H14H212H3
MFCD03693512
ZINC000001900931
ZINC01900931
ZINC1900931
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