Vitas-M small molecule compound
butyl 4-[3-(3-ethoxypropyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK990552
SMILES CCCCOC(=O)c1ccc(cc1)n1c2nc3ccccc3nc2c2c1ncn(c2=O)CCCOCC
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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 C28H29N5O4 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N5O4/c1-3-5-17-37-28(35)19-11-13-20(14-12-19)33-25-23(27(34)32(18-29-25)15-8-16-36-4-2)24-26(33)31-22-10-7-6-9-21(22)30-24/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3InChIKey
JUJPKKLDZOHKPX-UHFFFAOYSA-NSynonyms
846584-92-7846584927
butyl4(3(3ethoxypropyl)4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
butyl4(3(3ethoxypropyl)4oxo3Hpyrimido(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)CCCOCC
InChI=1SC28H29N5O4c135173728(35)19111320(141219)332523(27(34)32(182925)158163642)2426(33)31221076921(22)3024h6791418H3581517H212H3
MFCD04175549
ZINC000008836778
ZINC08836778
ZINC8836778
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