Vitas-M small molecule compound
1-hexyl-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL049174
SMILES CCCCCCN1C(=O)N=C(C2(C1=O)C[NH+](C)c1c(C2)cc(cc1)C)[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 C20H27N3O3 MW 357.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3/c1-4-5-6-7-10-23-18(25)20(17(24)21-19(23)26)12-15-11-14(2)8-9-16(15)22(3)13-20/h8-9,11H,4-7,10,12-13H2,1-3H3,(H,21,24,26)InChIKey
HPWCENWLYDEAJV-UHFFFAOYSA-NSynonyms
877621-61-91hexyl16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1HEXYL16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
1hexyl16dimethylspiro(13diazinane5324dihydroquinoline)246trione
877621619
CCCCCCN1C(=O)C2(CC3=C(C=CC(=C3)C)N(C2)C)C(=O)NC1=O
CCCCCCN1C(=O)N=C(C2(C1=O)C(NH+)(C)c1c(C2)cc(cc1)C)(O)
InChI=1SC20H27N3O3c14567102318(25)20(17(24)2119(23)26)12151114(2)8916(15)22(3)1320h8911H47101213H213H3(H212426)
MFCD18249250
ZINC000005516587
ZINC000005516588
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