Vitas-M small molecule compound
1-(3-fluorophenyl)-1',6'-dimethyl-2,6-dioxo-1,1',4',6-tetrahydro-2H,2'H-spiro[pyrimidine-5,3'-quinolinium]-4-olate
Catalog ID
STL056367
SMILES Cc1ccc2c(c1)CC1(C[NH+]2C)C(=NC(=O)N(C1=O)c1cccc(c1)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 C20H18FN3O3 MW 367.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O3/c1-12-6-7-16-13(8-12)10-20(11-23(16)2)17(25)22-19(27)24(18(20)26)15-5-3-4-14(21)9-15/h3-9H,10-11H2,1-2H3,(H,22,25,27)InChIKey
XRHNIBFUQCQZSK-UHFFFAOYSA-NSynonyms
862486-19-91(3FLUOROPHENYL)16DIMETHYL14DIHYDRO2H2HSPIRO(PYRIMIDINE53QUINOLINE)246(1H3H)TRIONE
1(3fluorophenyl)16dimethyl26dioxo1146tetrahydro2H2Hspiro(pyrimidine53quinolinium)4olate
1(3FLUOROPHENYL)16DIMETHYL46DIOXOSPIRO(24DIHYDRO1HQUINOLIN1IUM35PYRIMIDINE)2OLATE
862486199
CC1=CC2=C(C=C1)(NH+)(CC3(C2)C(=O)N=C(N(C3=O)C4=CC(=CC=C4)F)(O))C
Cc1ccc2c(c1)CC1(C(NH+)2C)C(=NC(=O)N(C1=O)c1cccc(c1)F)(O)
InChI=1SC20H18FN3O3c112671613(812)1020(1123(16)2)17(25)2219(27)24(18(20)26)1553414(21)915h39H1011H212H3(H222527)
MFCD18249731
ZINC000009359858
ZINC000009359860
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