Vitas-M small molecule compound
1',6'-dimethyl-1-(3-methylphenyl)-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL050217
SMILES Cc1cccc(c1)N1C(=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 C21H21N3O3 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O3/c1-13-5-4-6-16(10-13)24-19(26)21(18(25)22-20(24)27)11-15-9-14(2)7-8-17(15)23(3)12-21/h4-10H,11-12H2,1-3H3,(H,22,25,27)InChIKey
MLPUERASAJNOJS-UHFFFAOYSA-NSynonyms
877791-22-516dimethyl1(3methylphenyl)26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
16DIMETHYL1(3METHYLPHENYL)46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
16dimethyl1(3methylphenyl)spiro(13diazinane5324dihydroquinoline)246trione
877791225
CC1=CC(=CC=C1)N2C(=O)C3(CC4=C(C=CC(=C4)C)N(C3)C)C(=O)NC2=O
Cc1cccc(c1)N1C(=O)N=C(C2(C1=O)Cc1cc(C)ccc1(NH+)(C2)C)(O)
InChI=1SC21H21N3O3c11354616(1013)2419(26)21(18(25)2220(24)27)1115914(2)7817(15)23(3)1221h410H1112H213H3(H222527)
MFCD18249318
ZINC000009358266
ZINC000009358268
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