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Vitas-M small molecule compound

7-[4-(bicyclo[2.2.1]hept-2-ylcarbamothioyl)-3-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK784384
SMILES COc1c(N2CCN(C(C2)C)C(=S)NC2CC3CC2CC3)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 C27H33FN4O4S MW 528.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33FN4O4S/c1-14-12-30(7-8-31(14)27(37)29-21-10-15-3-4-16(21)9-15)23-20(28)11-18-22(25(23)36-2)32(17-5-6-17)13-19(24(18)33)26(34)35/h11,13-17,21H,3-10,12H2,1-2H3,(H,29,37)(H,34,35)
InChIKey
MYZZWCWRCHQXRN-UHFFFAOYSA-N
Synonyms
1005090-07-2
1005090072
1CYCLOPROPYL6FLUORO4KETO8METHOXY7(3METHYL4(2NORBORNYLTHIOCARBAMOYL)PIPERAZINO)QUINOLINE3CARBOXYLICACID
7(4((1R4S)bicyclo(221)heptan2ylcarbamothioyl)3methylpiperazin1yl)1cyclopropyl6fluoro8methoxy4oxo14dihydroquinoline3carboxylicacid
7(4((3BICYCLO(221)HEPTANYLAMINO)SULFANYLIDENEMETHYL)3METHYL1PIPERAZINYL)1CYCLOPROPYL6FLUORO8METHOXY4OXO3QUINOLINECARBOXYLICACID
7(4(3BICYCLO(221)HEPTANYLCARBAMOTHIOYL)3METHYLPIPERAZIN1YL)1CYCLOPROPYL6FLUORANYL8METHOXY4OXIDANYLIDENEQUINOLINE3CARBOXYLICACID
7(4(3BICYCLO(221)HEPTANYLCARBAMOTHIOYL)3METHYLPIPERAZIN1YL)1CYCLOPROPYL6FLUORO8METHOXY4OXOQUINOLINE3CARBOXYLICACID
7(4(BICYCLO(221)HEPT2YLCARBAMOTHIOYL)3METHYLPIPERAZIN1YL)1CYCLOPROPYL6FLUORO8METHOXY4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
7(4(BICYCLO(221)HEPT2YLTHIOCARBAMOYL)3METHYLPIPERAZIN1YL)1CYCLOPROPYL6FLUORO8METHOXY4OXO14DIHYDROQUINOLINE3CARBOXYLICACID
CC1CN(CCN1C(=S)NC2CC3CCC2C3)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F
InChI=1SC27H33FN4O4Sc1141230(7831(14)27(37)292110153416(21)915)2320(28)111822(25(23)362)32(175617)1319(24(18)33)26(34)35h11131721H31012H212H3(H2937)(H3435)
MFCD05687920
ZINC000102762348
ZINC000251781951

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Available files

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