Vitas-M small molecule compound
3-[2-(cyclohex-1-en-1-yl)ethyl]-11-{[(E)-(3-methoxyphenyl)methylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
Catalog ID
STL237458
SMILES COc1cccc(c1)/C=N/n1c2nc3ccccc3nc2c2c1ncn(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 C28H26N6O2 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O2/c1-36-21-11-7-10-20(16-21)17-30-34-26-24(25-27(34)32-23-13-6-5-12-22(23)31-25)28(35)33(18-29-26)15-14-19-8-3-2-4-9-19/h5-8,10-13,16-18H,2-4,9,14-15H2,1H3/b30-17+InChIKey
QJTXRKMNKZGTKO-OCSSWDANSA-NSynonyms
860792-93-4(E)3(2(cyclohex1en1yl)ethyl)11((3methoxybenzylidene)amino)3Hpyrimido(5445)pyrrolo(23b)quinoxalin4(11H)one
3(2(cyclohex1en1yl)ethyl)11(((E)(3methoxyphenyl)methylidene)amino)311dihydro4Hpyrimido(5445)pyrrolo(23b)quinoxalin4one
860792934
COC1=CC=CC(=C1)C=NN2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CCC6=CCCCC6
COc1cccc(c1)C=Nn1c2nc3ccccc3nc2c2c1ncn(c2=O)CCC1=CCCCC1
InChI=1SC28H26N6O2c136211171020(1621)1730342624(2527(34)322313651222(23)3125)28(35)33(182926)1514198324919h5810131618H2491415H21H3b3017+
MFCD04163099
ZINC000002409741
ZINC2409740
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