Vitas-M small molecule compound
1-ethyl-6-fluoro-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxo-N-[(2E)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,4-dihydroquinoline-3-carboxamide
Catalog ID
STK560545
SMILES CCCc1n[nH]/c(=N\C(=O)c2cn(CC)c3c(c2=O)cc(c(c3)N2CCN(CC2)C(=O)c2ccco2)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 C26H27FN6O4S MW 538.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27FN6O4S/c1-3-6-22-29-30-26(38-22)28-24(35)17-15-31(4-2)19-14-20(18(27)13-16(19)23(17)34)32-8-10-33(11-9-32)25(36)21-7-5-12-37-21/h5,7,12-15H,3-4,6,8-11H2,1-2H3,(H,28,30,35)InChIKey
HVPNNKCXGBLRCZ-UHFFFAOYSA-NSynonyms
337504-69-51ETHYL6FLUORO7(4(FURAN2CARBONYL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)QUINOLINE3CARBOXAMIDE
1ethyl6fluoro7(4(furan2ylcarbonyl)piperazin1yl)4oxoN((2E)5propyl134thiadiazol2(3H)ylidene)14dihydroquinoline3carboxamide
337504695
CCCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCN(CC4)C(=O)C5=CC=CO5)CC
CCCc1n(nH)c(=NC(=O)c2cn(CC)c3c(c2=O)cc(c(c3)N2CCN(CC2)C(=O)c2ccco2)F)s1
InChI=1SC26H27FN6O4Sc13622293026(3822)2824(35)171531(42)191420(18(27)1316(19)23(17)34)3281033(11932)25(36)2175123721h571215H346811H212H3(H283035)
MFCD03805414
ZINC000001305194
ZINC01305194
ZINC1305194
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