Vitas-M small molecule compound
7-(4-{[(3,4-dimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328916
SMILES COc1cc(ccc1OC)C(=O)NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O
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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 C26H27FN4O6S MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN4O6S/c1-4-29-14-17(25(34)35)23(32)16-12-18(27)20(13-19(16)29)30-7-9-31(10-8-30)26(38)28-24(33)15-5-6-21(36-2)22(11-15)37-3/h5-6,11-14H,4,7-10H2,1-3H3,(H,34,35)(H,28,33,38)InChIKey
KYXYDALJWNHXNC-UHFFFAOYSA-NSynonyms
352646-75-4352646754
7(4(((34dimethoxyphenyl)carbonyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((34dimethoxybenzoyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((34DIMETHOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)OC)OC)F)C(=O)O
InChI=1SC26H27FN4O6Sc14291417(25(34)35)23(32)161218(27)20(1319(16)29)307931(10830)26(38)2824(33)155621(362)22(1115)373h561114H4710H213H3(H3435)(H283338)
MFCD01994235
ZINC000097951355
ZINC97951355
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