Vitas-M small molecule compound
3-hydroxy-3-(4-methylphenyl)-5-oxo-7-[4-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Catalog ID
STK827156
SMILES N#CC1=C2SCC(N2C(=O)CC1c1ccc(cc1)C(F)(F)F)(O)c1ccc(cc1)C
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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 C22H17F3N2O2S MW 430.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N2O2S/c1-13-2-6-15(7-3-13)21(29)12-30-20-18(11-26)17(10-19(28)27(20)21)14-4-8-16(9-5-14)22(23,24)25/h2-9,17,29H,10,12H2,1H3InChIKey
HHKDHQXLEGRPJT-UHFFFAOYSA-NSynonyms
3hydroxy3(4methylphenyl)5oxo7(4(trifluoromethyl)phenyl)2367tetrahydro5H(13)thiazolo(32a)pyridine8carbonitrile
3hydroxy3(4methylphenyl)5oxo7(4(trifluoromethyl)phenyl)67dihydro2H(13)thiazolo(32a)pyridine8carbonitrile
CC1=CC=C(C=C1)C2(CSC3=C(C(CC(=O)N32)C4=CC=C(C=C4)C(F)(F)F)C#N)O
InChI=1SC22H17F3N2O2Sc1132615(7313)21(29)12302018(1126)17(1019(28)27(20)21)144816(9514)22(2324)25h291729H1012H21H3
MFCD10087282
ZINC000012275442
ZINC000012275448
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