Vitas-M small molecule compound

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

Catalog ID
STL090950
SMILES O=C1NC(c2cc(ccc2OC(F)F)[N+](=O)[O-])C(C(N1)(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 C17H12F5N3O6S MW 481.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12F5N3O6S/c18-14(19)31-9-4-3-7(25(29)30)6-8(9)12-11(13(26)10-2-1-5-32-10)16(28,17(20,21)22)24-15(27)23-12/h1-6,11-12,14,28H,(H2,23,24,27)
InChIKey
ALBWRWVEOLCMFT-UHFFFAOYSA-N
Synonyms
374571-32-1
374571321
6(2(difluoromethoxy)5nitrophenyl)4hydroxy5(thiophen2ylcarbonyl)4(trifluoromethyl)tetrahydropyrimidin2(1H)one
6(2(DIFLUOROMETHOXY)5NITROPHENYL)4HYDROXY5(THIOPHENE2CARBONYL)4(TRIFLUOROMETHYL)13DIAZINAN2ONE
C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=C(C=CC(=C3)(N+)(=O)(O))OC(F)F
InChI=1SC17H12F5N3O6Sc1814(19)319437(25(29)30)68(9)1211(13(26)102153210)16(2817(2021)22)2415(27)2312h1611121428H(H2232427)
MFCD02698979
O=C1NC(c2cc(ccc2OC(F)F)(N+)(=O)(O))C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1
ZINC000009090193
ZINC000226355376

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Available files

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