Vitas-M small molecule compound
1-ethyl-6-fluoro-4-oxo-7-(4-{[(3,4,5-trimethoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK549122
SMILES COc1cc(cc(c1OC)OC)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 C27H29FN4O7S MW 572.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29FN4O7S/c1-5-30-14-17(26(35)36)23(33)16-12-18(28)20(13-19(16)30)31-6-8-32(9-7-31)27(40)29-25(34)15-10-21(37-2)24(39-4)22(11-15)38-3/h10-14H,5-9H2,1-4H3,(H,35,36)(H,29,34,40)InChIKey
BPZDKPHATSGHLS-UHFFFAOYSA-NSynonyms
1ethyl6fluoro4oxo7(4(((345trimethoxyphenyl)carbonyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ethyl6fluoro4oxo7(4((345trimethoxybenzoyl)carbamothioyl)piperazin1yl)14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO4OXO7(4((345TRIMETHOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)QUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC)F)C(=O)O
InChI=1SC27H29FN4O7Sc15301417(26(35)36)23(33)161218(28)20(1319(16)30)316832(9731)27(40)2925(34)151021(372)24(394)22(1115)383h1014H59H214H3(H3536)(H293440)
MFCD03685072
ZINC000102452419
ZINC102452419
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