Vitas-M small molecule compound

6-hydroxy-1-methyl-4-(4-nitrophenyl)-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one

Catalog ID
STL090989
SMILES O=C1NC(c2ccc(cc2)[N+](=O)[O-])C(C(N1C)(O)C(F)(F)F)C(=O)c1cccs1

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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 C17H14F3N3O5S MW 429.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N3O5S/c1-22-15(25)21-13(9-4-6-10(7-5-9)23(27)28)12(16(22,26)17(18,19)20)14(24)11-3-2-8-29-11/h2-8,12-13,26H,1H3,(H,21,25)
InChIKey
MDFXIAAFEUNZRD-UHFFFAOYSA-N
Synonyms
1024448-47-2
1024448472
6hydroxy1methyl4(4nitrophenyl)5(thiophen2ylcarbonyl)6(trifluoromethyl)tetrahydropyrimidin2(1H)one
6HYDROXY1METHYL4(4NITROPHENYL)5(THIOPHENE2CARBONYL)6(TRIFLUOROMETHYL)13DIAZINAN2ONE
6HYDROXY1METHYL4(4NITROPHENYL)5(THIOPHENE2CARBONYL)6(TRIFLUOROMETHYL)TETRAHYDROPYRIMIDIN2(1H)ONE
CN1C(=O)NC(C(C1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC17H14F3N3O5Sc12215(25)2113(94610(759)23(27)28)12(16(2226)17(1819)20)14(24)113282911h28121326H1H3(H2125)
MFCD03447674
O=C1NC(c2ccc(cc2)(N+)(=O)(O))C(C(N1C)(O)C(F)(F)F)C(=O)c1cccs1
ZINC000002502276
ZINC000012139921

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Available files

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