Vitas-M small molecule compound
7-[4-(benzylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK553330
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NCc1ccccc1)c(c2)F
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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 C24H25FN4O3S MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN4O3S/c1-2-27-15-18(23(31)32)22(30)17-12-19(25)21(13-20(17)27)28-8-10-29(11-9-28)24(33)26-14-16-6-4-3-5-7-16/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,26,33)(H,31,32)InChIKey
XZQHBEZEPSSSLH-UHFFFAOYSA-NSynonyms
634175-31-8634175318
7(4(benzylcarbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4(BENZYLCARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NCC4=CC=CC=C4)F)C(=O)O
InChI=1SC24H25FN4O3Sc12271518(23(31)32)22(30)171219(25)21(1320(17)27)2881029(11928)24(33)2614166435716h37121315H281114H21H3(H2633)(H3132)
MFCD03683830
ZINC000001440908
ZINC1440908
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