Vitas-M small molecule compound
2-amino-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(4-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683696
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1nnc(s1)SCc1ccc(cc1)Cl)C#N
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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 C27H24ClN5O2S2 MW 550.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O2S2/c1-2-35-19-12-8-17(9-13-19)23-20(14-29)25(30)33(21-4-3-5-22(34)24(21)23)26-31-32-27(37-26)36-15-16-6-10-18(28)11-7-16/h6-13,23H,2-5,15,30H2,1H3InChIKey
LDVREVWRQZTQNP-UHFFFAOYSA-NSynonyms
2amino1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(4ethoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile2amino1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)4(4ethoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC=C(C=C5)Cl)N)C#N
Registry IDs
MFCD05258576ZINC000098006239
ZINC000098006240
Check stock
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Check stock on Vitas-MAvailable files
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