Vitas-M small molecule compound
11-{[(E)-(4-tert-butylphenyl)methylidene]amino}-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STK714360
SMILES O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2/N=C/c1ccc(cc1)C(C)(C)C
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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 C31H28N6O MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N6O/c1-31(2,3)23-15-13-22(14-16-23)19-33-37-28-26(27-29(37)35-25-12-8-7-11-24(25)34-27)30(38)36(20-32-28)18-17-21-9-5-4-6-10-21/h4-16,19-20H,17-18H2,1-3H3/b33-19+InChIKey
FXFDCVVHFVHHQV-HNSNBQBZSA-NSynonyms
848736-46-9(E)11((4(tertbutyl)benzylidene)amino)3phenethyl3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
11(((E)(4tertbutylphenyl)methylidene)amino)3(2phenylethyl)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
848736469
CC(C)(C)C1=CC=C(C=C1)C=NN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC6=CC=CC=C6
InChI=1SC31H28N6Oc131(23)23151322(141623)1933372826(2729(37)352512871124(25)3427)30(38)36(203228)18172195461021h4161920H1718H213H3b3319+
MFCD04194583
O=c1n(CCc2ccccc2)cnc2c1c1nc3ccccc3nc1n2N=Cc1ccc(cc1)C(C)(C)C
ZINC000002431437
ZINC2431435
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