Vitas-M small molecule compound
1-ethyl-6-fluoro-7-(4-{[1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328889
SMILES CSCCC(C(=O)OC)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 C23H29FN4O5S2 MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29FN4O5S2/c1-4-26-13-15(21(30)31)20(29)14-11-16(24)19(12-18(14)26)27-6-8-28(9-7-27)23(34)25-17(5-10-35-3)22(32)33-2/h11-13,17H,4-10H2,1-3H3,(H,25,34)(H,30,31)InChIKey
KXMQSVOMWWPAPZ-UHFFFAOYSA-NSynonyms
1025761-06-11025761061
1ethyl6fluoro7(4((1methoxy4(methylsulfanyl)1oxobutan2yl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO7(4((1METHOXY4METHYLSULFANYL1OXOBUTAN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(CCSC)C(=O)OC)F)C(=O)O
InChI=1SC23H29FN4O5S2c14261315(21(30)31)20(29)141116(24)19(1218(14)26)276828(9727)23(34)2517(510353)22(32)332h111317H410H213H3(H2534)(H3031)
MFCD05857790
ZINC000016400159
ZINC000016400162
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