Vitas-M small molecule compound
2-[4-(2-chloro-6-fluorophenyl)-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Catalog ID
STK779507
SMILES N#Cc1c(sc2c1CCCCCC2)N1C(=O)CC(C2=C1CCCC2=O)c1c(F)cccc1Cl
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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 C26H24ClFN2O2S MW 483.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClFN2O2S/c27-18-8-5-9-19(28)24(18)16-13-23(32)30(20-10-6-11-21(31)25(16)20)26-17(14-29)15-7-3-1-2-4-12-22(15)33-26/h5,8-9,16H,1-4,6-7,10-13H2InChIKey
DSXDNORUXCGWQJ-UHFFFAOYSA-NSynonyms
2(4(2chloro6fluorophenyl)25dioxo345678hexahydroquinolin1(2H)yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
2(4(2chloro6fluorophenyl)25dioxo4678tetrahydro3Hquinolin1yl)456789hexahydrocycloocta(b)thiophene3carbonitrile
C1CCCC2=C(CC1)C(=C(S2)N3C4=C(C(CC3=O)C5=C(C=CC=C5Cl)F)C(=O)CCC4)C#N
InChI=1SC26H24ClFN2O2Sc271885919(28)24(18)161323(32)30(201061121(31)25(16)20)2617(1429)15731241222(15)3326h58916H14671013H2
MFCD05858625
ZINC000012428378
ZINC000012428379
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