Vitas-M small molecule compound

3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-11-{[(E)-(4-methylphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one

Catalog ID
STL233844
SMILES Cc1ccc(cc1)/C=N/n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)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/c1-19-12-14-22(15-13-19)18-30-35-27-25(26-28(35)33-24-11-7-6-10-23(24)32-26)29(36)34(20(2)31-27)17-16-21-8-4-3-5-9-21/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3/b30-18+
InChIKey
MTUHBPHTEYHPGE-UXHLAJHPSA-N
Synonyms
860807-37-0
(E)3(2(cyclohex1en1yl)ethyl)2methyl11((4methylbenzylidene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(cyclohex1en1yl)ethyl)2methyl11(((E)(4methylphenyl)methylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860807370
CC1=CC=C(C=C1)C=NN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC6=CCCCC6
Cc1ccc(cc1)C=Nn1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)CCC1=CCCCC1
InChI=1SC29H28N6Oc119121422(151319)1830352725(2628(35)332411761023(24)3226)29(36)34(20(2)3127)1716218435921h68101518H3591617H212H3b3018+
MFCD04171005
ZINC000002418571
ZINC2418570

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Available files

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