Vitas-M small molecule compound
3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-11-{[(E)-(3-methylphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL234059
SMILES Cc1cccc(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 C29H28N6O MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O/c1-19-9-8-12-22(17-19)18-30-35-27-25(26-28(35)33-24-14-7-6-13-23(24)32-26)29(36)34(20(2)31-27)16-15-21-10-4-3-5-11-21/h6-10,12-14,17-18H,3-5,11,15-16H2,1-2H3/b30-18+InChIKey
ZFUQLKNQGYVGJE-UXHLAJHPSA-NSynonyms
861109-53-7(E)3(2(cyclohex1en1yl)ethyl)2methyl11((3methylbenzylidene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(cyclohex1en1yl)ethyl)2methyl11(((E)(3methylphenyl)methylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
861109537
CC1=CC=CC(=C1)C=NN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC6=CCCCC6
Cc1cccc(c1)C=Nn1c2nc(C)n(c(=O)c2c2c1nc1ccccc1n2)CCC1=CCCCC1
InChI=1SC29H28N6Oc119981222(1719)1830352725(2628(35)332414761323(24)3226)29(36)34(20(2)3127)161521104351121h61012141718H35111516H212H3b3018+
MFCD04183041
ZINC000002368220
ZINC2368218
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