Vitas-M small molecule compound
2-(benzylsulfanyl)-5-(3-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980805
SMILES Fc1cccc(c1)C1C2=C(Nc3c1c(=O)[nH]c(n3)SCc1ccccc1)CC(CC2=O)(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 C26H24FN3O2S MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24FN3O2S/c1-26(2)12-18-21(19(31)13-26)20(16-9-6-10-17(27)11-16)22-23(28-18)29-25(30-24(22)32)33-14-15-7-4-3-5-8-15/h3-11,20H,12-14H2,1-2H3,(H2,28,29,30,32)InChIKey
BEBQPLQYRPYWIV-UHFFFAOYSA-NSynonyms
2(benzylsulfanyl)5(3fluorophenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2benzylsulfanyl5(3fluorophenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CC1(CC2=C(C(C3=C(N2)NC(=NC3=O)SCC4=CC=CC=C4)C5=CC(=CC=C5)F)C(=O)C1)C
Fc1cccc(c1)C1C2=C(Nc3c1c(=O)(nH)c(n3)SCc1ccccc1)CC(CC2=O)(C)C
InChI=1SC26H24FN3O2Sc126(2)121821(19(31)1326)20(16961017(27)1116)2223(2818)2925(3024(22)32)3314157435815h31120H1214H212H3(H228293032)
MFCD04457360
ZINC000017242374
ZINC000017242379
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