Vitas-M small molecule compound
propyl 4-[3-(3-ethoxypropyl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
Catalog ID
STK714320
SMILES CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C(=O)OCCC
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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/c1-4-16-37-28(35)19-11-13-20(14-12-19)33-25-23(24-26(33)31-22-10-7-6-9-21(22)30-24)27(34)32(18(3)29-25)15-8-17-36-5-2/h6-7,9-14H,4-5,8,15-17H2,1-3H3InChIKey
NFHFSXHMWVNSEO-UHFFFAOYSA-NSynonyms
845900-35-8845900358
CCCOC(=O)C1=CC=C(C=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C(=N3)C)CCCOCC
InChI=1SC28H29N5O4c14163728(35)19111320(141219)332523(2426(33)31221076921(22)3024)27(34)32(18(3)2925)158173652h67914H4581517H213H3
MFCD04172824
propyl4(3(3ethoxypropyl)2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
propyl4(3(3ethoxypropyl)2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
ZINC000002407888
ZINC02407888
ZINC2407888
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