Vitas-M small molecule compound
(5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Catalog ID
STL040682
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCCN2Cc1ccccc1)c1cccc(c1)C(F)(F)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 C28H22F3N3O2S MW 521.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22F3N3O2S/c29-28(30,31)21-9-4-10-22(16-21)34-26(36)23(25(35)32-27(34)37)15-19-11-12-24-20(14-19)8-5-13-33(24)17-18-6-2-1-3-7-18/h1-4,6-7,9-12,14-16H,5,8,13,17H2,(H,32,35,37)/b23-15+InChIKey
SUSFWEQZQALULC-HZHRSRAPSA-NSynonyms
840509-45-7(5E)5((1benzyl1234tetrahydroquinolin6yl)methylidene)2sulfanyl1(3(trifluoromethyl)phenyl)pyrimidine46(1H5H)dione
(5E)5((1BENZYL34DIHYDRO2HQUINOLIN6YL)METHYLIDENE)2SULFANYLIDENE1(3(TRIFLUOROMETHYL)PHENYL)13DIAZINANE46DIONE
840509457
C1CC2=C(C=CC(=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)N(C1)CC5=CC=CC=C5
InChI=1SC28H22F3N3O2Sc2928(3031)21941022(1621)3426(36)23(25(35)3227(34)37)151911122420(1419)851333(24)17186213718h14679121416H581317H2(H323537)b2315+
MFCD07203957
O=C1N=C(S)N(C(=O)C1=Cc1ccc2c(c1)CCCN2Cc1ccccc1)c1cccc(c1)C(F)(F)F
ZINC000009466070
ZINC9466070
Check stock
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Check stock on Vitas-MAvailable files
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