Vitas-M small molecule compound
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
Catalog ID
STK748794
SMILES CCOC(=O)C1=C(CSc2nc(ccc2C#N)c2cccs2)OC(=C(C1c1ccccc1Cl)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)17(13-29)22(23)16-6-3-4-7-18(16)27)14-36-25-15(12-28)9-10-19(31-25)21-8-5-11-35-21/h3-11,22H,2,14,30H2,1H3InChIKey
JCJRWPFIRBNJLQ-UHFFFAOYSA-NSynonyms
339582-24-0339582240
CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2Cl)C#N)N)CSC3=C(C=CC(=N3)C4=CC=CS4)C#N
ethyl6amino4(2chlorophenyl)5cyano2(((3cyano6(thiophen2yl)pyridin2yl)sulfanyl)methyl)4Hpyran3carboxylate
ethyl6amino4(2chlorophenyl)5cyano2(((3cyano6(thiophen2yl)pyridin2yl)thio)methyl)4Hpyran3carboxylate
ETHYL6AMINO4(2CHLOROPHENYL)5CYANO2((3CYANO6THIOPHEN2YLPYRIDIN2YL)SULFANYLMETHYL)4HPYRAN3CARBOXYLATE
InChI=1SC26H19ClN4O3S2c123326(32)2320(3424(30)17(1329)22(23)16634718(16)27)14362515(1228)91019(3125)2185113521h31122H21430H21H3
MFCD00743870
ZINC000097940193
ZINC000097940194
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