Vitas-M small molecule compound
2-[(2-fluorobenzyl)sulfanyl]-5-(2-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK981054
SMILES Fc1ccccc1CSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccccc1[N+](=O)[O-])C(=O)CCC3
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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/c25-15-8-3-1-6-13(15)12-34-24-27-22-21(23(31)28-24)19(14-7-2-4-10-17(14)29(32)33)20-16(26-22)9-5-11-18(20)30/h1-4,6-8,10,19H,5,9,11-12H2,(H2,26,27,28,31)InChIKey
CXFYPBMFSRRBPO-UHFFFAOYSA-NSynonyms
2((2fluorobenzyl)sulfanyl)5(2nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2((2fluorophenyl)methylsulfanyl)5(2nitrophenyl)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
Fc1ccccc1CSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccccc1(N+)(=O)(O))C(=O)CCC3
InChI=1SC24H19FN4O4Sc2515831613(15)123424272221(23(31)2824)19(147241017(14)29(32)33)2016(2622)951118(20)30h14681019H591112H2(H226272831)
MFCD04065218
ZINC000000959839
ZINC000000959840
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