Vitas-M small molecule compound
4-[6-hydroxy-2-oxo-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)hexahydropyrimidin-4-yl]benzoic acid
Catalog ID
STL090948
SMILES O=C1NC(c2ccc(cc2)C(=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 C17H13F3N2O5S MW 414.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F3N2O5S/c18-17(19,20)16(27)11(13(23)10-2-1-7-28-10)12(21-15(26)22-16)8-3-5-9(6-4-8)14(24)25/h1-7,11-12,27H,(H,24,25)(H2,21,22,26)InChIKey
KBZBEKGQOGPORY-UHFFFAOYSA-NSynonyms
4(6hydroxy2oxo5(thiophen2ylcarbonyl)6(trifluoromethyl)hexahydropyrimidin4yl)benzoicacid
4(6HYDROXY2OXO5(THIOPHENE2CARBONYL)6(TRIFLUOROMETHYL)13DIAZINAN4YL)BENZOICACID
C1=CSC(=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)C(=O)O
InChI=1SC17H13F3N2O5Sc1817(1920)16(27)11(13(23)102172810)12(2115(26)2216)8359(648)14(24)25h17111227H(H2425)(H2212226)
MFCD02167772
ZINC000001014139
ZINC000245242216
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