Vitas-M small molecule compound
2-(butylsulfanyl)-5-(4-methoxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980680
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)OC)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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-3-4-12-29-22-24-20-19(21(27)25-22)17(13-8-10-14(28-2)11-9-13)18-15(23-20)6-5-7-16(18)26/h8-11,17H,3-7,12H2,1-2H3,(H2,23,24,25,27)InChIKey
YDRBQBPIKWTWOR-UHFFFAOYSA-NSynonyms
628278-46-62(butylsulfanyl)5(4methoxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl5(4methoxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
628278466
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)OC)C(=O)CCC3
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)OC)C(=O)CCC3
InChI=1SC22H25N3O3Sc134122922242019(21(27)2522)17(1381014(282)11913)1815(2320)65716(18)26h81117H3712H212H3(H223242527)
MFCD04443983
ZINC000005868788
ZINC000005868852
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