Vitas-M small molecule compound
7-{4-[(3-chlorophenyl)carbonyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,4-dihydroquinoline-3-carboxamide
Catalog ID
STL037272
SMILES CCCc1n[nH]/c(=N\C(=O)c2cn(C3CC3)c3c(c2=O)cc(c(c3)N2CCN(CC2)C(=O)c2cccc(c2)Cl)F)/s1
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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 C29H28ClFN6O3S MW 595.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClFN6O3S/c1-2-4-25-33-34-29(41-25)32-27(39)21-16-37(19-7-8-19)23-15-24(22(31)14-20(23)26(21)38)35-9-11-36(12-10-35)28(40)17-5-3-6-18(30)13-17/h3,5-6,13-16,19H,2,4,7-12H2,1H3,(H,32,34,39)InChIKey
GIRLINXZWYPNQT-UHFFFAOYSA-NSynonyms
7(4((3chlorophenyl)carbonyl)piperazin1yl)1cyclopropyl6fluoro4oxoN((2E)5propyl134thiadiazol2(3H)ylidene)14dihydroquinoline3carboxamide
7(4(3CHLOROBENZOYL)1PIPERAZINYL)1CYCLOPROPYL6FLUORO4OXON(5PROPYL134THIADIAZOL2YL)14DIHYDRO3QUINOLINECARBOXAMIDE
7(4(3CHLOROBENZOYL)PIPERAZIN1YL)1CYCLOPROPYL6FLUORO4OXON(5PROPYL134THIADIAZOL2YL)QUINOLINE3CARBOXAMIDE
CCCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)C6CC6
CCCc1n(nH)c(=NC(=O)c2cn(C3CC3)c3c(c2=O)cc(c(c3)N2CCN(CC2)C(=O)c2cccc(c2)Cl)F)s1
InChI=1SC29H28ClFN6O3Sc12425333429(4125)3227(39)211637(197819)231524(22(31)1420(23)26(21)38)3591136(121035)28(40)1753618(30)1317h356131619H24712H21H3(H323439)
MFCD04071816
ZINC000001261828
ZINC01261828
ZINC1261828
Check stock
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Check stock on Vitas-MAvailable files
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