Vitas-M small molecule compound

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

Catalog ID
STK544641
SMILES CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C(=S)NC(=O)c1ccc(nc1)Cl)c(c2)F

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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 C23H21ClFN5O4S MW 517.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClFN5O4S/c1-2-28-12-15(22(33)34)20(31)14-9-16(25)18(10-17(14)28)29-5-7-30(8-6-29)23(35)27-21(32)13-3-4-19(24)26-11-13/h3-4,9-12H,2,5-8H2,1H3,(H,33,34)(H,27,32,35)
InChIKey
KVRBBVOYUUXKQB-UHFFFAOYSA-N
Synonyms
488811-28-5
488811285
7(4(((6chloropyridin3yl)carbonyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((6chloronicotinoyl)carbamothioyl)piperazin1yl)1ethyl6fluoro4oxo14dihydroquinoline3carboxylicacid
7(4((6CHLOROPYRIDINE3CARBONYL)CARBAMOTHIOYL)PIPERAZIN1YL)1ETHYL6FLUORO4OXOQUINOLINE3CARBOXYLICACID
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CN=C(C=C4)Cl)F)C(=O)O
InChI=1SC23H21ClFN5O4Sc12281215(22(33)34)20(31)14916(25)18(1017(14)28)295730(8629)23(35)2721(32)133419(24)261113h34912H258H21H3(H3334)(H273235)
MFCD03191136
ZINC000002353536
ZINC2353536

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Available files

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