Vitas-M small molecule compound

butyl 4-[3-(butan-2-yl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate

Catalog ID
STK920414
SMILES CCCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(c2=O)C(CC)C

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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/c1-5-7-16-36-28(35)19-12-14-20(15-13-19)33-25-23(27(34)32(17(3)6-2)18(4)29-25)24-26(33)31-22-11-9-8-10-21(22)30-24/h8-15,17H,5-7,16H2,1-4H3
InChIKey
WLMISEYYUBWHCB-UHFFFAOYSA-N
Synonyms
847035-79-4
847035794
butyl4(3(butan2yl)2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
butyl4(3(secbutyl)2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
CCCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)C(C)CC
InChI=1SC28H29N5O3c157163628(35)19121420(151319)332523(27(34)32(17(3)62)18(4)2925)2426(33)312211981021(22)3024h81517H5716H214H3
MFCD04178256
ZINC000008836796
ZINC000008836798

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Available files

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