Vitas-M small molecule compound
4-(2-methylphenyl)-1-(5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK682806
SMILES O=C1CC(C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CCCC2=O)c1ccccc1C
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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 C26H22F3N3O2S2 MW 529.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22F3N3O2S2/c1-15-6-2-3-9-18(15)19-13-22(34)32(20-10-5-11-21(33)23(19)20)24-30-31-25(36-24)35-14-16-7-4-8-17(12-16)26(27,28)29/h2-4,6-9,12,19H,5,10-11,13-14H2,1H3InChIKey
XMCMZVSDLOANDB-UHFFFAOYSA-NSynonyms
4(2methylphenyl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
4(2methylphenyl)1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)4678tetrahydro3Hquinoline25dione
CC1=CC=CC=C1C2CC(=O)N(C3=C2C(=O)CCC3)C4=NN=C(S4)SCC5=CC(=CC=C5)C(F)(F)F
InChI=1SC26H22F3N3O2S2c115623918(15)191322(34)32(201051121(33)23(19)20)24303125(3624)35141674817(1216)26(2728)29h24691219H510111314H21H3
MFCD04060850
ZINC000001445838
ZINC000001445839
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