Vitas-M small molecule compound
1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK544692
SMILES COC(=O)c1ccc(cc1)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 C25H25FN4O5S MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O5S/c1-3-28-14-18(23(32)33)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(36)27-16-6-4-15(5-7-16)24(34)35-2/h4-7,12-14H,3,8-11H2,1-2H3,(H,27,36)(H,32,33)InChIKey
ZFCYVPKEGGPPFR-UHFFFAOYSA-NSynonyms
488093-68-11ethyl6fluoro7(4((4(methoxycarbonyl)phenyl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO7(4((4METHOXYCARBONYLPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
488093681
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(=O)OC)F)C(=O)O
InChI=1SC25H25FN4O5Sc13281418(23(32)33)22(31)171219(26)21(1320(17)28)2981030(11929)25(36)27166415(5716)24(34)352h471214H3811H212H3(H2736)(H3233)
MFCD03288078
ZINC000002325979
ZINC2325979
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