Vitas-M small molecule compound
ethyl 3-(3-hexyl-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate
Catalog ID
STK920437
SMILES CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1cccc(c1)C(=O)OCC
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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 C28H29N5O3 MW 483.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O3/c1-4-6-7-10-16-32-18(3)29-25-23(27(32)34)24-26(31-22-15-9-8-14-21(22)30-24)33(25)20-13-11-12-19(17-20)28(35)36-5-2/h8-9,11-15,17H,4-7,10,16H2,1-3H3InChIKey
WBTWROSMWBVHNQ-UHFFFAOYSA-NSynonyms
847178-02-3847178023
CCCCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=CC(=C5)C(=O)OCC)C
ethyl3(3hexyl2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl3(3hexyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC28H29N5O3c146710163218(3)292523(27(32)34)2426(312215981421(22)3024)33(25)2013111219(1720)28(35)3652h89111517H471016H213H3
MFCD04183893
ZINC000002393271
ZINC02393271
ZINC2393271
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