Vitas-M small molecule compound
1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(2-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK683191
SMILES O=C1CC(C2=C(N1c1nnc(s1)SCc1ccccc1Cl)CC(CC2=O)(C)C)c1ccccc1F
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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 C26H23ClFN3O2S2 MW 528.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClFN3O2S2/c1-26(2)12-20-23(21(32)13-26)17(16-8-4-6-10-19(16)28)11-22(33)31(20)24-29-30-25(35-24)34-14-15-7-3-5-9-18(15)27/h3-10,17H,11-14H2,1-2H3InChIKey
NQZLTHAWSUQUPW-UHFFFAOYSA-NSynonyms
1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(2fluorophenyl)77dimethyl4678tetrahydroquinoline25(1H3H)dione
1(5((2chlorophenyl)methylsulfanyl)134thiadiazol2yl)4(2fluorophenyl)77dimethyl3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4Cl)C5=CC=CC=C5F)C(=O)C1)C
InChI=1SC26H23ClFN3O2S2c126(2)122023(21(32)1326)17(168461019(16)28)1122(33)31(20)24293025(3524)341415735918(15)27h31017H1114H212H3
MFCD05256990
ZINC000098006003
ZINC000098006004
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