Vitas-M small molecule compound
methyl 4-[(E)-{[3-(2-methoxyethyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]imino}methyl]benzoate
Catalog ID
STL238860
SMILES COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccc(cc1)C(=O)OC
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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 C24H20N6O4 MW 456.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N6O4/c1-33-12-11-29-14-25-21-19(23(29)31)20-22(28-18-6-4-3-5-17(18)27-20)30(21)26-13-15-7-9-16(10-8-15)24(32)34-2/h3-10,13-14H,11-12H2,1-2H3/b26-13+InChIKey
ARLXCMBCROEZPB-LGJNPRDNSA-NSynonyms
847178-56-7(E)methyl4(((3(2methoxyethyl)4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)imino)methyl)benzoate
847178567
COCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2N=CC5=CC=C(C=C5)C(=O)OC
COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2N=Cc1ccc(cc1)C(=O)OC
InChI=1SC24H20N6O4c13312112914252119(23(29)31)2022(2818643517(18)2720)30(21)2613157916(10815)24(32)342h3101314H1112H212H3b2613+
methyl4((E)((3(2methoxyethyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)imino)methyl)benzoate
MFCD04183977
ZINC000002393367
ZINC33364893
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