Vitas-M small molecule compound
methyl 5-({[4-cyano-1-(trifluoromethyl)-5,6-dihydrobenzo[h]isoquinolin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Catalog ID
STK959923
SMILES COC(=O)c1ccc(o1)CSc1nc(c2c(c1C#N)CCc1c2cccc1)C(F)(F)F
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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 C22H15F3N2O3S MW 444.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15F3N2O3S/c1-29-21(28)17-9-7-13(30-17)11-31-20-16(10-26)15-8-6-12-4-2-3-5-14(12)18(15)19(27-20)22(23,24)25/h2-5,7,9H,6,8,11H2,1H3InChIKey
NYTJMMXZDLJREY-UHFFFAOYSA-NSynonyms
677722-21-3677722213
COC(=O)C1=CC=C(O1)CSC2=NC(=C3C(=C2C#N)CCC4=CC=CC=C43)C(F)(F)F
InChI=1SC22H15F3N2O3Sc12921(28)179713(3017)11312016(1026)158612423514(12)18(15)19(2720)22(2324)25h2579H6811H21H3
methyl5(((4cyano1(trifluoromethyl)56dihydrobenzo(h)isoquinolin3yl)sulfanyl)methyl)furan2carboxylate
methyl5((4cyano1(trifluoromethyl)56dihydrobenzo(h)isoquinolin3yl)sulfanylmethyl)furan2carboxylate
MFCD02606672
ZINC000002761703
ZINC02761703
ZINC2761703
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