Vitas-M small molecule compound
1-[2-(4-methoxyphenyl)ethyl]-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL529334
SMILES COc1ccc(cc1)CCN1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1[NH+](C2)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 C23H25N3O4 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4/c1-15-4-9-19-17(12-15)13-23(14-25(19)2)20(27)24-22(29)26(21(23)28)11-10-16-5-7-18(30-3)8-6-16/h4-9,12H,10-11,13-14H2,1-3H3,(H,24,27,29)InChIKey
DPCPYMLDTQVWIE-UHFFFAOYSA-NSynonyms
859860-01-81(2(4methoxyphenyl)ethyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1(2(4methoxyphenyl)ethyl)16dimethyl26dioxospiro(24dihydro1~(H)quinolin1ium35pyrimidine)4olate
1(2(4METHOXYPHENYL)ETHYL)16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
4979151
859860018
InChI=1SC23H25N3O4c115491917(1215)1323(1425(19)2)20(27)2422(29)26(21(23)28)1110165718(303)8616h4912H10111314H213H3(H242729)
MFCD31753939
ZINC000005750749
ZINC000005750797
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