Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(3-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980776
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)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 C21H22FN3O2S MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S/c1-4-28-20-24-18-17(19(27)25-20)15(11-6-5-7-12(22)8-11)16-13(23-18)9-21(2,3)10-14(16)26/h5-8,15H,4,9-10H2,1-3H3,(H2,23,24,25,27)InChIKey
ZOTCMCCDRBTOBP-UHFFFAOYSA-NSynonyms
537044-30-72(ethylsulfanyl)5(3fluorophenyl)88dimethyl58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(3fluorophenyl)88dimethyl57910tetrahydro1Hpyrimido(45b)quinoline46dione
537044307
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)F)C(=O)CC(C3)(C)C
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)F)C(=O)CC(C3)(C)C
InChI=1SC21H22FN3O2Sc142820241817(19(27)2520)15(1165712(22)811)1613(2318)921(23)1014(16)26h5815H4910H213H3(H223242527)
MFCD04212221
ZINC000006420080
ZINC000006420088
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