Vitas-M small molecule compound
11-{[(E)-(3-chlorophenyl)methylidene]amino}-3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL238889
SMILES Clc1cccc(c1)/C=N/n1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCC1=CCCCC1
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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 C28H25ClN6O MW 497.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN6O/c1-18-31-26-24(28(36)34(18)15-14-19-8-3-2-4-9-19)25-27(33-23-13-6-5-12-22(23)32-25)35(26)30-17-20-10-7-11-21(29)16-20/h5-8,10-13,16-17H,2-4,9,14-15H2,1H3/b30-17+InChIKey
BSDHNFGMQRNNRP-OCSSWDANSA-NSynonyms
844451-37-2(E)11((3chlorobenzylidene)amino)3(2(cyclohex1en1yl)ethyl)2methyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
11(((E)(3chlorophenyl)methylidene)amino)3(2(cyclohex1en1yl)ethyl)2methyl311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
844451372
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2N=CC5=CC(=CC=C5)Cl)C(=O)N1CCC6=CCCCC6
Clc1cccc(c1)C=Nn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCC1=CCCCC1
InChI=1SC28H25ClN6Oc118312624(28(36)34(18)1514198324919)2527(332313651222(23)3225)35(26)3017201071121(29)1620h5810131617H2491415H21H3b3017+
MFCD04155255
ZINC000002400548
ZINC33365330
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