Vitas-M small molecule compound
2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2,3-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK683701
SMILES N#CC1=C(N)N(c2nnc(s2)SCc2ccccc2Cl)C2=C(C1c1cccc(c1OC)OC)C(=O)CCC2
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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 C27H24ClN5O3S2 MW 566.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClN5O3S2/c1-35-21-12-5-8-16(24(21)36-2)22-17(13-29)25(30)33(19-10-6-11-20(34)23(19)22)26-31-32-27(38-26)37-14-15-7-3-4-9-18(15)28/h3-5,7-9,12,22H,6,10-11,14,30H2,1-2H3InChIKey
GNHWNYIQKWDOON-UHFFFAOYSA-NSynonyms
2amino1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dimethoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)4(23dimethoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=CC(=C1OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC=CC=C5Cl)N)C#N
InChI=1SC27H24ClN5O3S2c13521125816(24(21)362)2217(1329)25(30)33(191061120(34)23(19)22)26313227(3826)371415734918(15)28h35791222H610111430H212H3
MFCD05258581
ZINC000098006249
ZINC000098006250
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