Vitas-M small molecule compound
5-(4-hydroxy-3-nitrophenyl)-8,8-dimethyl-2-(propan-2-ylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK918728
SMILES CC(Sc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(c(c1)[N+](=O)[O-])O)C(=O)CC(C3)(C)C)C
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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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-10(2)32-21-24-19-18(20(29)25-21)16(11-5-6-14(27)13(7-11)26(30)31)17-12(23-19)8-22(3,4)9-15(17)28/h5-7,10,16,27H,8-9H2,1-4H3,(H2,23,24,25,29)InChIKey
LUFFATYZEHCUEV-UHFFFAOYSA-NSynonyms
5(4hydroxy3nitrophenyl)88dimethyl2(propan2ylsulfanyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
5(4hydroxy3nitrophenyl)88dimethyl2propan2ylsulfanyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC(C)SC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=C(C=C4)O)(N+)(=O)(O))C(=O)CC(C3)(C)C
CC(Sc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(c(c1)(N+)(=O)(O))O)C(=O)CC(C3)(C)C)C
InChI=1SC22H24N4O5Sc110(2)3221241918(20(29)2521)16(115614(27)13(711)26(30)31)1712(2319)822(34)915(17)28h57101627H89H214H3(H223242529)
MFCD06305351
ZINC000100991145
ZINC000100991148
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