Vitas-M small molecule compound

(5E)-1-[4-(propan-2-yl)phenyl]-2-thioxo-5-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)dihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK133261
SMILES CC(c1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(o2)c2cccc(c2)C(F)(F)F)/C1=O)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 C25H19F3N2O3S MW 484.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F3N2O3S/c1-14(2)15-6-8-18(9-7-15)30-23(32)20(22(31)29-24(30)34)13-19-10-11-21(33-19)16-4-3-5-17(12-16)25(26,27)28/h3-14H,1-2H3,(H,29,31,34)/b20-13+
InChIKey
ARWXPZQREJFWCZ-DEDYPNTBSA-N
Synonyms

(5E)1(4(PROPAN2YL)PHENYL)2THIOXO5((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)DIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)1(4PROPAN2YLPHENYL)2SULFANYLIDENE5((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)13DIAZINANE46DIONE
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C(=O)NC2=S
CC(c1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(F)(F)F)C1=O)C
InChI=1SC25H19F3N2O3Sc114(2)156818(9715)3023(32)20(22(31)2924(30)34)1319101121(3319)1643517(1216)25(2627)28h314H12H3(H293134)b2013+
MFCD07157269
ZINC000009850572
ZINC09850572
ZINC9850572

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Available files

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