Vitas-M small molecule compound
5-[2-methyl-1-(3-phenylpropyl)-6-(trifluoromethyl)pyridin-4(1H)-ylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL073144
SMILES S=C1NC(=O)C(=c2cc(C)n(c(c2)C(F)(F)F)CCCc2ccccc2)C(=O)N1
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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 C20H18F3N3O2S MW 421.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O2S/c1-12-10-14(16-17(27)24-19(29)25-18(16)28)11-15(20(21,22)23)26(12)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9H2,1H3,(H2,24,25,27,28,29)InChIKey
SXFHQLSNJKGTFX-UHFFFAOYSA-NSynonyms
5(2methyl1(3phenylpropyl)6(trifluoromethyl)pyridin4(1H)ylidene)2thioxodihydropyrimidine46(1H5H)dione
5(2methyl1(3phenylpropyl)6(trifluoromethyl)pyridin4ylidene)2sulfanylidene13diazinane46dione
5(6METHYL1(3PHENYLPROPYL)2(TRIFLUOROMETHYL)(4HYDROPYRIDYLIDENE))2THIOXO13DIHYDROPYRIMIDINE46DIONE
CC1=CC(=C2C(=O)NC(=S)NC2=O)C=C(N1CCCC3=CC=CC=C3)C(F)(F)F
InChI=1SC20H18F3N3O2Sc1121014(1617(27)2419(29)2518(16)28)1115(20(2122)23)26(12)958136324713h24671011H589H21H3(H22425272829)
MFCD06650356
ZINC000016756478
ZINC16756478
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