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Vitas-M small molecule compound

1-ethyl-6-fluoro-7-(4-{[(4-methoxyphenyl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Catalog ID
STK328906
SMILES COc1ccc(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 C25H25FN4O5S MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN4O5S/c1-3-28-14-18(24(33)34)22(31)17-12-19(26)21(13-20(17)28)29-8-10-30(11-9-29)25(36)27-23(32)15-4-6-16(35-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,33,34)(H,27,32,36)
InChIKey
TVFWQQFKFQPBNK-UHFFFAOYSA-N
Synonyms
151292-92-1
151292921
1ETHYL6FLUORANYL7(4((4METHOXYPHENYL)CARBONYLCARBAMOTHIOYL)PIPERAZIN1YL)4OXIDANYLIDENEQUINOLINE3CARBOXYLICACID
1ETHYL6FLUORO4KETO7(4(PANISOYLTHIOCARBAMOYL)PIPERAZINO)QUINOLINE3CARBOXYLICACID
1ETHYL6FLUORO7(4((((4METHOXYPHENYL)OXOMETHYL)AMINO)SULFANYLIDENEMETHYL)1PIPERAZINYL)4OXO3QUINOLINECARBOXYLICACID
1ethyl6fluoro7(4(((4methoxyphenyl)carbonyl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ethyl6fluoro7(4((4methoxybenzoyl)carbamothioyl)piperazin1yl)4oxo14dihydroquinoline3carboxylicacid
1ETHYL6FLUORO7(4((4METHOXYBENZOYL)CARBAMOTHIOYL)PIPERAZIN1YL)4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC=C(C=C4)OC)F)C(=O)O
InChI=1SC25H25FN4O5Sc13281418(24(33)34)22(31)171219(26)21(1320(17)28)2981030(11929)25(36)2723(32)154616(352)7515h471214H3811H212H3(H3334)(H273236)
MFCD01962722
ZINC000008743235
ZINC8743235

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Available files

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