Vitas-M small molecule compound
1-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(4-fluorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Catalog ID
STK774352
SMILES CCSc1nnc(s1)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccc(cc1)F
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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 C21H22FN3O2S2 MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22FN3O2S2/c1-4-28-20-24-23-19(29-20)25-15-10-21(2,3)11-16(26)18(15)14(9-17(25)27)12-5-7-13(22)8-6-12/h5-8,14H,4,9-11H2,1-3H3InChIKey
LDTRPDFGCQRNSA-UHFFFAOYSA-NSynonyms
1(5(ethylsulfanyl)134thiadiazol2yl)4(4fluorophenyl)77dimethyl4678tetrahydroquinoline25(1H3H)dione
1(5ethylsulfanyl134thiadiazol2yl)4(4fluorophenyl)77dimethyl3468tetrahydroquinoline25dione
CCSC1=NN=C(S1)N2C(=O)CC(C3=C2CC(CC3=O)(C)C)C4=CC=C(C=C4)F
InChI=1SC21H22FN3O2S2c142820242319(2920)25151021(23)1116(26)18(15)14(917(25)27)125713(22)8612h5814H4911H213H3
MFCD04060636
ZINC000001444537
ZINC000001444538
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