Vitas-M small molecule compound
1-ethyl-6-fluoro-4-oxo-7-(4-{[(4-propoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK328917
SMILES CCCOc1ccc(cc1)C(=O)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 C27H29FN4O5S MW 540.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FN4O5S/c1-3-13-37-18-7-5-17(6-8-18)25(34)29-27(38)32-11-9-31(10-12-32)23-15-22-19(14-21(23)28)24(33)20(26(35)36)16-30(22)4-2/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,35,36)(H,29,34,38)InChIKey
MSQBFQCMPMQZRX-UHFFFAOYSA-NSynonyms
370575-95-41ethyl6fluoro4oxo7(4(((4propoxyphenyl)carbonyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ethyl6fluoro4oxo7(4((4propoxybenzoyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO4OXO7(4((4PROPOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
370575954
CCCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)CC)F
InChI=1SC27H29FN4O5Sc131337187517(6818)25(34)2927(38)3211931(101232)23152219(1421(23)28)24(33)20(26(35)36)1630(22)42h581416H34913H212H3(H3536)(H293438)
MFCD01994236
ZINC000033353695
ZINC33353695
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