Vitas-M small molecule compound

ethyl 4-hydroxy-4-(nonafluorobutyl)-6-phenyl-2-thioxohexahydropyrimidine-5-carboxylate

Catalog ID
STL438697
SMILES CCOC(=O)C1C(NC(=S)NC1(O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccccc1

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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 C17H15F9N2O3S MW 498.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F9N2O3S/c1-2-31-11(29)9-10(8-6-4-3-5-7-8)27-12(32)28-13(9,30)14(18,19)15(20,21)16(22,23)17(24,25)26/h3-7,9-10,30H,2H2,1H3,(H2,27,28,32)
InChIKey
WYFGGVSUGAVBJA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1C(NC(=S)NC1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)C2=CC=CC=C2
ethyl4hydroxy4(112233444nonafluorobutyl)6phenyl2sulfanylidene13diazinane5carboxylate
ethyl4hydroxy4(nonafluorobutyl)6phenyl2thioxohexahydropyrimidine5carboxylate
InChI=1SC17H15F9N2O3Sc123111(29)910(8643578)2712(32)2813(930)14(1819)15(2021)16(2223)17(2425)26h3791030H2H21H3(H2272832)
MFCD06243474
ZINC000101388212
ZINC000103406617

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Available files

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