Vitas-M small molecule compound
1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(phenylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Catalog ID
STL052610
SMILES COc1c(N2CCN(C(C2)C)C(=S)Nc2ccccc2)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1
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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 C26H27FN4O4S MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN4O4S/c1-15-13-29(10-11-30(15)26(36)28-16-6-4-3-5-7-16)22-20(27)12-18-21(24(22)35-2)31(17-8-9-17)14-19(23(18)32)25(33)34/h3-7,12,14-15,17H,8-11,13H2,1-2H3,(H,28,36)(H,33,34)InChIKey
CPLLYWMUTREMQW-UHFFFAOYSA-NSynonyms
714931-70-11cyclopropyl6fluoro8methoxy7(3methyl4(phenylcarbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1CYCLOPROPYL6FLUORO8METHOXY7(3METHYL4(PHENYLCARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
1CYCLOPROPYL6FLUORO8METHOXY7(3METHYL4PHENYLTHIOCARBAMOYLPIPERAZIN1YL)4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
714931701
CC1CN(CCN1C(=S)NC2=CC=CC=C2)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI=1SC26H27FN4O4Sc1151329(101130(15)26(36)28166435716)2220(27)121821(24(22)352)31(178917)1419(23(18)32)25(33)34h3712141517H81113H212H3(H2836)(H3334)
MFCD05677470
ZINC000009210709
ZINC000009210710
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