Vitas-M small molecule compound
1'-methyl-3-phenyl-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STL443967
SMILES O=C1NC(=O)C2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-24-20(28)22(19(27)23-21(24)29)13-15-7-5-6-10-17(15)26-12-11-25(14-18(22)26)16-8-3-2-4-9-16/h2-10,18H,11-14H2,1H3,(H,23,27,29)InChIKey
KGXFOPOXFFNRAL-UHFFFAOYSA-NSynonyms
(5R)1methyl3phenyl12344a6hexahydro1Hspiro(pyrazino(12a)quinoline55pyrimidine)246(3H)trione
1methyl3phenyl2344atetrahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidine)246(1H3H)trione
1methyl3phenylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CN1C(=O)C2(CC3=CC=CC=C3N4C2CN(CC4)C5=CC=CC=C5)C(=O)NC1=O
InChI=1SC22H22N4O3c12420(28)22(19(27)2321(24)29)13157561017(15)26121125(1418(22)26)168324916h21018H1114H21H3(H232729)
MFCD08273119
O=C1NC(=O)(C@@)2(C(=O)N1C)Cc1ccccc1N1C2CN(CC1)c1ccccc1
ZINC000005516640
ZINC000043572263
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