Vitas-M small molecule compound
2-[(2-fluorobenzyl)sulfanyl]-5-(3-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980717
SMILES COc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccccc1F
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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 C25H22FN3O3S MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O3S/c1-32-16-8-4-7-14(12-16)20-21-18(10-5-11-19(21)30)27-23-22(20)24(31)29-25(28-23)33-13-15-6-2-3-9-17(15)26/h2-4,6-9,12,20H,5,10-11,13H2,1H3,(H2,27,28,29,31)InChIKey
JGFQWMYAPQVGTN-UHFFFAOYSA-NSynonyms
2((2fluorobenzyl)sulfanyl)5(3methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2fluorophenyl)methylsulfanyl)5(3methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
COC1=CC=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)N=C(N4)SCC5=CC=CC=C5F
COc1cccc(c1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccccc1F
InChI=1SC25H22FN3O3Sc1321684714(1216)202118(1051119(21)30)272322(20)24(31)2925(2823)331315623917(15)26h24691220H5101113H21H3(H227282931)
MFCD04457301
ZINC000016960310
ZINC000016960312
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