Vitas-M small molecule compound
ethyl 9-chloro-2',4',6'-trioxo-1',3'-diphenyl-1,1',2,3',4,4',4a,6'-octahydro-2'H,3H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-3-carboxylate
Catalog ID
STL441406
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2cc(Cl)cc3)C(=O)N(c2ccccc2)C(=O)N(C1=O)c1ccccc1
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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 C30H27ClN4O5 MW 559.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27ClN4O5/c1-2-40-29(39)32-15-16-33-24-17-21(31)14-13-20(24)18-30(25(33)19-32)26(36)34(22-9-5-3-6-10-22)28(38)35(27(30)37)23-11-7-4-8-12-23/h3-14,17,25H,2,15-16,18-19H2,1H3InChIKey
PMPGYGALIYUMOO-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN2C(C1)C3(CC4=C2C=C(C=C4)Cl)C(=O)N(C(=O)N(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
ethyl9chloro246trioxo13diphenyl1123444a6octahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
ethyl9chloro246trioxo13diphenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carboxylate
InChI=1SC30H27ClN4O5c124029(39)32151633241721(31)141320(24)1830(25(33)1932)26(36)34(2295361022)28(38)35(27(30)37)23117481223h3141725H215161819H21H3
MFCD08060272
ZINC000008773732
ZINC000008773734
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