Vitas-M small molecule compound
ethyl 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
STK920402
SMILES CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2c1ccc(cc1)C(=O)OCC
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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 C27H27N5O4 MW 485.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O4/c1-4-35-16-8-15-31-17(3)28-24-22(26(31)33)23-25(30-21-10-7-6-9-20(21)29-23)32(24)19-13-11-18(12-14-19)27(34)36-5-2/h6-7,9-14H,4-5,8,15-16H2,1-3H3InChIKey
YVGDNPCPDLCESQ-UHFFFAOYSA-NSynonyms
844465-54-9844465549
CCOCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OCC)C
ethyl4(3(3ethoxypropyl)2methyl4oxo34dihydro11Hpyrimido(5445)pyrrolo(23b)quinoxalin11yl)benzoate
ethyl4(3(3ethoxypropyl)2methyl4oxo3Hpyrimido(5445)pyrrolo(23b)quinoxalin11(4H)yl)benzoate
InChI=1SC27H27N5O4c1435168153117(3)282422(26(31)33)2325(30211076920(21)2923)32(24)19131118(121419)27(34)3652h67914H4581516H213H3
MFCD04157950
ZINC000002404294
ZINC02404294
ZINC2404294
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