Vitas-M small molecule compound
(5Z)-1-(3-chlorophenyl)-4,6-dioxo-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL040674
SMILES Clc1cccc(c1)N1C(=NC(=O)/C(=C/c2cc3CCC[NH+]4c3c(c2)CCC4)/C1=O)[S-]
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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 C23H20ClN3O2S MW 437.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O2S/c24-17-6-1-7-18(13-17)27-22(29)19(21(28)25-23(27)30)12-14-10-15-4-2-8-26-9-3-5-16(11-14)20(15)26/h1,6-7,10-13H,2-5,8-9H2,(H,25,28,30)/b19-12-InChIKey
GTVNQWLZJBPQPX-UNOMPAQXSA-NSynonyms
850722-09-7(5Z)1(3chlorophenyl)46dioxo5(2367tetrahydro1H5Hpyrido(321ij)quinolinium9ylmethylidene)1456tetrahydropyrimidine2thiolate
850722097
Clc1cccc(c1)N1C(=NC(=O)C(=Cc2cc3CCC(NH+)4c3c(c2)CCC4)C1=O)(S)
MFCD18248050
ZINC000009290660
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