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

Catalog ID
STK683721
SMILES O=C1CC(c2cccc(c2)[N+](=O)[O-])C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CC(CC2=O)(C)C

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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 C27H23F3N4O4S2 MW 588.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23F3N4O4S2/c1-26(2)12-20-23(21(35)13-26)19(16-6-4-8-18(10-16)34(37)38)11-22(36)33(20)24-31-32-25(40-24)39-14-15-5-3-7-17(9-15)27(28,29)30/h3-10,19H,11-14H2,1-2H3
InChIKey
DYERUMMJJAHZNI-UHFFFAOYSA-N
Synonyms
77dimethyl4(3nitrophenyl)1(5((3(trifluoromethyl)benzyl)sulfanyl)134thiadiazol2yl)4678tetrahydroquinoline25(1H3H)dione
77dimethyl4(3nitrophenyl)1(5((3(trifluoromethyl)phenyl)methylsulfanyl)134thiadiazol2yl)3468tetrahydroquinoline25dione
CC1(CC2=C(C(CC(=O)N2C3=NN=C(S3)SCC4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1)C
O=C1CC(c2cccc(c2)(N+)(=O)(O))C2=C(N1c1nnc(s1)SCc1cccc(c1)C(F)(F)F)CC(CC2=O)(C)C
Registry IDs
MFCD05258611
ZINC000098006278
ZINC000098006279

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Available files

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