Vitas-M small molecule compound

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

Catalog ID
STK990494
SMILES CCCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCC(C)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/c1-4-5-16-36-28(35)19-10-12-20(13-11-19)33-25-23(27(34)32(17-29-25)15-14-18(2)3)24-26(33)31-22-9-7-6-8-21(22)30-24/h6-13,17-18H,4-5,14-16H2,1-3H3
InChIKey
UJTKEEOPBSLIEL-UHFFFAOYSA-N
Synonyms
845666-49-1
845666491
butyl4(3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
butyl4(3isopentyl4oxo3Hpyrimido(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)CCC(C)C
InChI=1SC28H29N5O3c145163628(35)19101220(131119)332523(27(34)32(172925)151418(2)3)2426(33)3122976821(22)3024h6131718H451416H213H3
MFCD04169034
ZINC000002416691
ZINC02416691
ZINC2416691

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Available files

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