Vitas-M small molecule compound
1',6'-dimethyl-2,6-dioxo-1-[3-(trifluoromethyl)phenyl]-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL042376
SMILES Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)[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 C21H18F3N3O3 MW 417.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O3/c1-12-6-7-16-13(8-12)10-20(11-26(16)2)17(28)25-19(30)27(18(20)29)15-5-3-4-14(9-15)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,28,30)InChIKey
CFAXCZDWLWVYAF-UHFFFAOYSA-NSynonyms
877799-61-616dimethyl1(3(trifluoromethyl)phenyl)spiro(13diazinane5324dihydroquinoline)246trione
16dimethyl26dioxo1(3(trifluoromethyl)phenyl)1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
16DIMETHYL46DIOXO1(3(TRIFLUOROMETHYL)PHENYL)SPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
877799616
CC1=CC2=C(C=C1)N(CC3(C2)C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C
Cc1ccc2c(c1)CC1(C(NH+)2C)C(=NC(=O)N(C1=O)c1cccc(c1)C(F)(F)F)(O)
InChI=1SC21H18F3N3O3c112671613(812)1020(1126(16)2)17(28)2519(30)27(18(20)29)1553414(915)21(2223)24h39H1011H212H3(H252830)
MFCD18248160
ZINC000005750775
ZINC000009350942
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