Vitas-M small molecule compound
methyl 4-(3-heptyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK990440
SMILES CCCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(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 C27H27N5O3 MW 469.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3/c1-3-4-5-6-9-16-31-17-28-24-22(26(31)33)23-25(30-21-11-8-7-10-20(21)29-23)32(24)19-14-12-18(13-15-19)27(34)35-2/h7-8,10-15,17H,3-6,9,16H2,1-2H3InChIKey
HAUADFOBXSRASD-UHFFFAOYSA-NSynonyms
847045-81-2847045812
CCCCCCCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC
InChI=1SC27H27N5O3c134569163117282422(26(31)33)2325(302111871020(21)2923)32(24)19141218(131519)27(34)352h78101517H36916H212H3
methyl4(3heptyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3heptyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD04182089
ZINC000002363446
ZINC2363446
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