Vitas-M small molecule compound
7-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK772467
SMILES COc1ccc(cc1NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O)OC
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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 C25H27FN4O5S MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN4O5S/c1-4-28-14-17(24(32)33)23(31)16-12-18(26)21(13-20(16)28)29-7-9-30(10-8-29)25(36)27-19-11-15(34-2)5-6-22(19)35-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,27,36)(H,32,33)InChIKey
OQAXJEKJDSMWFQ-UHFFFAOYSA-NSynonyms
499210-40-1499210401
7(4((25dimethoxyphenyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((25DIMETHOXYPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC)F)C(=O)O
InChI=1SC25H27FN4O5Sc14281417(24(32)33)23(31)161218(26)21(1320(16)28)297930(10829)25(36)27191115(342)5622(19)353h561114H4710H213H3(H2736)(H3233)
MFCD03303731
ZINC000002356734
ZINC2356734
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