Vitas-M small molecule compound
methyl 4-(3-cyclohexyl-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK551515
SMILES COC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C1CCCCC1
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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 C27H25N5O3 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3/c1-16-28-24-22(26(33)31(16)18-8-4-3-5-9-18)23-25(30-21-11-7-6-10-20(21)29-23)32(24)19-14-12-17(13-15-19)27(34)35-2/h6-7,10-15,18H,3-5,8-9H2,1-2H3InChIKey
HECCFRJUHHZNMT-UHFFFAOYSA-NSynonyms
799820-29-4799820294
CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC)C(=O)N1C6CCCCC6
InChI=1SC27H25N5O3c116282422(26(33)31(16)188435918)2325(302111761020(21)2923)32(24)19141217(131519)27(34)352h67101518H3589H212H3
methyl4(3cyclohexyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
methyl4(3cyclohexyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
MFCD03682078
ZINC000002235701
ZINC02235701
ZINC2235701
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