Vitas-M small molecule compound
7-{4-[(1,6-dimethoxy-1,6-dioxohexan-2-yl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328833
SMILES COC(=O)C(NC(=S)N1CCN(CC1)c1cc2n(CC)cc(c(=O)c2cc1F)C(=O)O)CCCC(=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 C25H31FN4O7S MW 550.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31FN4O7S/c1-4-28-14-16(23(33)34)22(32)15-12-17(26)20(13-19(15)28)29-8-10-30(11-9-29)25(38)27-18(24(35)37-3)6-5-7-21(31)36-2/h12-14,18H,4-11H2,1-3H3,(H,27,38)(H,33,34)InChIKey
FGKALUCJARUKRG-UHFFFAOYSA-NSynonyms
1025019-26-41025019264
7(4((16dimethoxy16dioxohexan2yl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((16DIMETHOXY16DIOXOHEXAN2YL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(CCCC(=O)OC)C(=O)OC)F)C(=O)O
InChI=1SC25H31FN4O7Sc14281416(23(33)34)22(32)151217(26)20(1319(15)28)2981030(11929)25(38)2718(24(35)373)65721(31)362h121418H411H213H3(H2738)(H3334)
MFCD05857792
ZINC000098007313
ZINC000098007314
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