Vitas-M small molecule compound
ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Catalog ID
STK749148
SMILES CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2cccs2)OC(=C(C1c1ccc(cc1)Cl)C#N)N
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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 C26H19ClN4O3S2 MW 535.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN4O3S2/c1-2-33-26(32)23-20(34-24(30)18(13-29)22(23)15-5-8-17(27)9-6-15)14-36-25-16(12-28)7-10-19(31-25)21-4-3-11-35-21/h3-11,22H,2,14,30H2,1H3InChIKey
LLHNDFXVYFYROT-UHFFFAOYSA-NSynonyms
339583-31-2339583312
CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano6(thiophen2yl)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(4chlorophenyl)5cyano2(((3cyano6(thiophen2yl)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO4(4CHLOROPHENYL)5CYANO2((3CYANO6THIOPHEN2YLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H19ClN4O3S2c123326(32)2320(3424(30)18(1329)22(23)155817(27)9615)14362516(1228)71019(3125)2143113521h31122H21430H21H3
MFCD00744570
ZINC000097949598
ZINC000097949599
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