Vitas-M small molecule compound
2-{[(5-hydroxy-7-methyl-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STL034973
SMILES N#Cc1c(SCc2cc(=O)oc3c2c(O)cc(c3)C)nc2c(c1C(F)(F)F)CCCC2
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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 C22H17F3N2O3S MW 446.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N2O3S/c1-11-6-16(28)19-12(8-18(29)30-17(19)7-11)10-31-21-14(9-26)20(22(23,24)25)13-4-2-3-5-15(13)27-21/h6-8,28H,2-5,10H2,1H3InChIKey
DQRZRTXJAUFKER-UHFFFAOYSA-NSynonyms
2(((5hydroxy7methyl2oxo2Hchromen4yl)methyl)sulfanyl)4(trifluoromethyl)5678tetrahydroquinoline3carbonitrile
2((5hydroxy7methyl2oxochromen4yl)methylsulfanyl)4(trifluoromethyl)5678tetrahydroquinoline3carbonitrile
CC1=CC2=C(C(=CC(=O)O2)CSC3=NC4=C(CCCC4)C(=C3C#N)C(F)(F)F)C(=C1)O
InChI=1SC22H17F3N2O3Sc111616(28)1912(818(29)3017(19)711)10312114(926)20(22(2324)25)13423515(13)2721h6828H2510H21H3
MFCD10041354
ZINC000011865306
ZINC11865306
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