Vitas-M small molecule compound
7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STK545551
SMILES S=C(N1CCN(CC1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)C1CC1)Nc1ccc(cc1)C(=O)C
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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 C26H25FN4O4S MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25FN4O4S/c1-15(32)16-2-4-17(5-3-16)28-26(36)30-10-8-29(9-11-30)23-13-22-19(12-21(23)27)24(33)20(25(34)35)14-31(22)18-6-7-18/h2-5,12-14,18H,6-11H2,1H3,(H,28,36)(H,34,35)InChIKey
PBBRWNVSAIELEW-UHFFFAOYSA-NSynonyms
632299-40-2632299402
7(4((4acetylphenyl)carbamothioyl)piperazin1yl)1cyclopropyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((4ACETYLPHENYL)CARBAMOTHIOYL)PIPERAZIN1YL)1CYCLOPROPYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI=1SC26H25FN4O4Sc115(32)162417(5316)2826(36)3010829(91130)23132219(1221(23)27)24(33)20(25(34)35)1431(22)186718h25121418H611H21H3(H2836)(H3435)
MFCD03682054
ZINC000009428644
ZINC9428644
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