Vitas-M small molecule compound
2-[(2-fluorobenzyl)sulfanyl]-5-(3-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK981055
SMILES O=C1CCCC2=C1C(c1cccc(c1)[N+](=O)[O-])c1c(N2)nc([nH]c1=O)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 C24H19FN4O4S MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN4O4S/c25-16-8-2-1-5-14(16)12-34-24-27-22-21(23(31)28-24)19(13-6-3-7-15(11-13)29(32)33)20-17(26-22)9-4-10-18(20)30/h1-3,5-8,11,19H,4,9-10,12H2,(H2,26,27,28,31)InChIKey
IYPUNAXQSOHKMI-UHFFFAOYSA-NSynonyms
2((2fluorobenzyl)sulfanyl)5(3nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2fluorophenyl)methylsulfanyl)5(3nitrophenyl)1578910hexahydropyrimido(45b)quinoline46dione
C1CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4F)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1
InChI=1SC24H19FN4O4Sc2516821514(16)123424272221(23(31)2824)19(1363715(1113)29(32)33)2017(2622)941018(20)30h13581119H491012H2(H226272831)
MFCD04066271
O=C1CCCC2=C1C(c1cccc(c1)(N+)(=O)(O))c1c(N2)nc((nH)c1=O)SCc1ccccc1F
ZINC000000959819
ZINC000000959820
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