Vitas-M small molecule compound
2-(butylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK914454
SMILES CCCCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)F)C(=O)CC(C3)(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 C23H26FN3O2S MW 427.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FN3O2S/c1-4-5-10-30-22-26-20-19(21(29)27-22)17(13-6-8-14(24)9-7-13)18-15(25-20)11-23(2,3)12-16(18)28/h6-9,17H,4-5,10-12H2,1-3H3,(H2,25,26,27,29)InChIKey
ZRZQVYAFRNBQQO-UHFFFAOYSA-NSynonyms
2(butylsulfanyl)5(4fluorophenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2butylsulfanyl5(4fluorophenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
CCCCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)F)C(=O)CC(C3)(C)C
CCCCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)F)C(=O)CC(C3)(C)C
InChI=1SC23H26FN3O2Sc145103022262019(21(29)2722)17(136814(24)9713)1815(2520)1123(23)1216(18)28h6917H451012H213H3(H225262729)
MFCD06316398
ZINC000009608802
ZINC000009608806
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