Vitas-M small molecule compound
1-cyclopropyl-6-fluoro-4-oxo-7-{4-[(9H-xanthen-9-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328943
SMILES S=C(N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)NC(=O)C1c2ccccc2Oc2c1cccc2
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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 C32H27FN4O5S MW 598.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27FN4O5S/c33-23-15-21-24(37(18-9-10-18)17-22(29(21)38)31(40)41)16-25(23)35-11-13-36(14-12-35)32(43)34-30(39)28-19-5-1-3-7-26(19)42-27-8-4-2-6-20(27)28/h1-8,15-18,28H,9-14H2,(H,40,41)(H,34,39,43)InChIKey
WLFLHLQRPGUWIR-UHFFFAOYSA-NSynonyms
696630-61-21cyclopropyl6fluoro4oxo7(4((9Hxanthen9ylcarbonyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1CYCLOPROPYL6FLUORO4OXO7(4(9HXANTHENE9CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
696630612
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=S)NC(=O)C5C6=CC=CC=C6OC7=CC=CC=C57)F)C(=O)O
InChI=1SC32H27FN4O5Sc3323152124(37(1891018)1722(29(21)38)31(40)41)1625(23)35111336(141235)32(43)3430(39)2819513726(19)4227842620(27)28h18151828H914H2(H4041)(H343943)
MFCD04061767
ZINC000098005935
ZINC98005935
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