Vitas-M small molecule compound
1-benzyl-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL528697
SMILES Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)Cc1ccccc1)[O-]
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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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-14-8-9-17-16(10-14)11-21(13-23(17)2)18(25)22-20(27)24(19(21)26)12-15-6-4-3-5-7-15/h3-10H,11-13H2,1-2H3,(H,22,25,27)InChIKey
GQRGGYPHWJAZEE-UHFFFAOYSA-NSynonyms
858768-18-01benzyl16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1benzyl16dimethyl26dioxospiro(24dihydro1~(H)quinolin1ium35pyrimidine)4olate
1BENZYL16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
4979207
858768180
InChI=1SC21H21N3O3c114891716(1014)1121(1323(17)2)18(25)2220(27)24(19(21)26)12156435715h310H1113H212H3(H222527)
MFCD31753897
ZINC000009009485
ZINC000009009486
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