Vitas-M small molecule compound

1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

Catalog ID
STK682833
SMILES Fc1ccc(cc1)C1CC(=O)N(C2=C1C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccc(cc1)Cl

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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)19(16-5-9-18(28)10-6-16)11-22(33)31(20)24-29-30-25(35-24)34-14-15-3-7-17(27)8-4-15/h3-10,19H,11-14H2,1-2H3
InChIKey
SUSXLQOASFRCTD-UHFFFAOYSA-N
Synonyms

1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(4fluorophenyl)77dimethyl4678tetrahydroquinoline25(1H3H)dione
1(5((4chlorophenyl)methylsulfanyl)134thiadiazol2yl)4(4fluorophenyl)77dimethyl3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC26H23ClFN3O2S2c126(2)122023(21(32)1326)19(165918(28)10616)1122(33)31(20)24293025(3524)3414153717(27)8415h31019H1114H212H3
MFCD04060938
ZINC000098005875
ZINC000098005876

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Available files

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