Vitas-M small molecule compound
propyl 4-[2-methyl-3-(3-methylbutyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990527
SMILES CCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(C)n(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/c1-5-16-36-28(35)19-10-12-20(13-11-19)33-25-23(27(34)32(18(4)29-25)15-14-17(2)3)24-26(33)31-22-9-7-6-8-21(22)30-24/h6-13,17H,5,14-16H2,1-4H3InChIKey
HKURHACAIVYLKH-UHFFFAOYSA-NSynonyms
847339-65-5847339655
CCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCC(C)C
InChI=1SC28H29N5O3c15163628(35)19101220(131119)332523(27(34)32(18(4)2925)151417(2)3)2426(33)3122976821(22)3024h61317H51416H214H3
MFCD04180176
propyl4(2methyl3(3methylbutyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
propyl4(3isopentyl2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
ZINC000002211631
ZINC02211631
ZINC2211631
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