Vitas-M small molecule compound
propyl 4-[3-(butan-2-yl)-2-ethyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990701
SMILES CCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1nc(CC)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/c1-5-16-36-28(35)18-12-14-19(15-13-18)33-25-23(27(34)32(17(4)6-2)22(7-3)31-25)24-26(33)30-21-11-9-8-10-20(21)29-24/h8-15,17H,5-7,16H2,1-4H3InChIKey
NYLVUZROZBJHIW-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)CC)C(C)CC
InChI=1SC28H29N5O3c15163628(35)18121419(151318)332523(27(34)32(17(4)62)22(73)3125)2426(33)302111981020(21)2924h81517H5716H214H3
MFCD07801642
propyl4(3(butan2yl)2ethyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ZINC000006150842
ZINC000006150845
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