Vitas-M small molecule compound
ethyl 4-(3-nitrophenyl)-2-thioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL091110
SMILES CCOC(=O)C1=C(NC(=S)NC1c1cccc(c1)[N+](=O)[O-])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 C14H12F3N3O4S MW 375.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12F3N3O4S/c1-2-24-12(21)9-10(7-4-3-5-8(6-7)20(22)23)18-13(25)19-11(9)14(15,16)17/h3-6,10H,2H2,1H3,(H2,18,19,25)InChIKey
DYIXFSDTKYNQGR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=S)NC1c1cccc(c1)(N+)(=O)(O))C(F)(F)F
CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)(N+)(=O)(O))C(F)(F)F
ETHYL4(3NITROPHENYL)2SULFANYLIDENE6(TRIFLUOROMETHYL)34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
ethyl4(3nitrophenyl)2thioxo6(trifluoromethyl)1234tetrahydropyrimidine5carboxylate
InChI=1SC14H12F3N3O4Sc122412(21)910(74358(67)20(22)23)1813(25)1911(9)14(1516)17h3610H2H21H3(H2181925)
MFCD06326753
ZINC000102140881
ZINC000102140885
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