Vitas-M small molecule compound
ethyl 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
STL441353
SMILES CCOC(=O)N1CCN2C(C1)C1(Cc3c2cccc3)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 C30H28N4O5 MW 524.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O5/c1-2-39-29(38)31-17-18-32-24-16-10-9-11-21(24)19-30(25(32)20-31)26(35)33(22-12-5-3-6-13-22)28(37)34(27(30)36)23-14-7-4-8-15-23/h3-16,25H,2,17-20H2,1H3InChIKey
TZORMCDKMUGYKP-UHFFFAOYSA-NSynonyms
CCOC(=O)N1CCN2C(C1)C3(CC4=CC=CC=C42)C(=O)N(C(=O)N(C3=O)C5=CC=CC=C5)C6=CC=CC=C6
ethyl246trioxo13diphenyl1123444a6octahydro2H3H6Hspiro(pyrazino(12a)quinoline55pyrimidine)3carboxylate
ethyl246trioxo13diphenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)3carboxylate
InChI=1SC30H28N4O5c123929(38)3117183224161091121(24)1930(25(32)2031)26(35)33(22125361322)28(37)34(27(30)36)23147481523h31625H21720H21H3
MFCD08060224
ZINC000008773622
ZINC000008773624
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