Vitas-M small molecule compound
4-(2-chlorophenyl)-5-cyano-6-(ethylsulfanyl)-2-phenyl-1,2,3,4-tetrahydropyridin-2-yl benzoate
Catalog ID
STK761851
SMILES CCSC1=C(C#N)C(CC(N1)(OC(=O)c1ccccc1)c1ccccc1)c1ccccc1Cl
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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 C27H23ClN2O2S MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN2O2S/c1-2-33-25-23(18-29)22(21-15-9-10-16-24(21)28)17-27(30-25,20-13-7-4-8-14-20)32-26(31)19-11-5-3-6-12-19/h3-16,22,30H,2,17H2,1H3InChIKey
XBYQFJIHSGJTNX-UHFFFAOYSA-NSynonyms
(4(2CHLOROPHENYL)5CYANO6ETHYLSULFANYL2PHENYL34DIHYDRO1HPYRIDIN2YL)BENZOATE
4(2chlorophenyl)5cyano6(ethylsulfanyl)2phenyl1234tetrahydropyridin2ylbenzoate
CCSC1=C(C(CC(N1)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C#N
InChI=1SC27H23ClN2O2Sc12332523(1829)22(21159101624(21)28)1727(302520137481420)3226(31)19115361219h3162230H217H21H3
MFCD01871219
ZINC000003670788
ZINC000003670791
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