Vitas-M small molecule compound

7-[4-(1,3-benzodioxol-5-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK335800
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)Nc1ccc3c(c1)OCO3)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 C24H23FN4O5S MW 498.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23FN4O5S/c1-2-27-12-16(23(31)32)22(30)15-10-17(25)19(11-18(15)27)28-5-7-29(8-6-28)24(35)26-14-3-4-20-21(9-14)34-13-33-20/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,35)(H,31,32)
InChIKey
CEHCYCHNPNBEBY-UHFFFAOYSA-N
Synonyms
697239-70-6
697239706
7(4(13benzodioxol5ylcarbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4(13BENZODIOXOL5YLCARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
7(4(benzo(d)(13)dioxol5ylcarbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCO5)F)C(=O)O
InChI=1SC24H23FN4O5Sc12271216(23(31)32)22(30)151017(25)19(1118(15)27)285729(8628)24(35)2614342021(914)34133320h34912H25813H21H3(H2635)(H3132)
MFCD04163171
ZINC000001279525
ZINC1279525

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Available files

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