Vitas-M small molecule compound
1-(4-methoxybenzyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL529318
SMILES COc1ccc(cc1)CN1C(=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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-14-4-9-18-16(10-14)11-22(13-24(18)2)19(26)23-21(28)25(20(22)27)12-15-5-7-17(29-3)8-6-15/h4-10H,11-13H2,1-3H3,(H,23,26,28)InChIKey
AODXCMQPVAZALD-UHFFFAOYSA-NSynonyms
859130-14-61((4methoxyphenyl)methyl)16dimethyl26dioxospiro(24dihydro1~(H)quinolin1ium35pyrimidine)4olate
1((4METHOXYPHENYL)METHYL)16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
1(4methoxybenzyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
4979074
859130146
InChI=1SC22H23N3O4c114491816(1014)1122(1324(18)2)19(26)2321(28)25(20(22)27)12155717(293)8615h410H1113H213H3(H232628)
MFCD31753937
ZINC000009357989
ZINC000009357990
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