Vitas-M small molecule compound
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK784382
SMILES CNC(=S)N1CCN(CC1C)c1c(F)cc2c(c1OC)n(cc(c2=O)C(=O)O)C1CC1
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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 C21H25FN4O4S MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FN4O4S/c1-11-9-24(6-7-25(11)21(31)23-2)17-15(22)8-13-16(19(17)30-3)26(12-4-5-12)10-14(18(13)27)20(28)29/h8,10-12H,4-7,9H2,1-3H3,(H,23,31)(H,28,29)InChIKey
SQGQWUALLOIMST-UHFFFAOYSA-NSynonyms
714925-36-71cyclopropyl6fluoro8methoxy7(3methyl4(methylcarbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1CYCLOPROPYL6FLUORO8METHOXY7(3METHYL4(METHYLCARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
1CYCLOPROPYL6FLUORO8METHOXY7(3METHYL4METHYLTHIOCARBAMOYLPIPERAZIN1YL)4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
714925367
CC1CN(CCN1C(=S)NC)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI=1SC21H25FN4O4Sc111924(6725(11)21(31)232)1715(22)81316(19(17)303)26(124512)1014(18(13)27)20(28)29h81012H479H213H3(H2331)(H2829)
MFCD05687227
ZINC000008670498
ZINC000008670499
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