Vitas-M small molecule compound
methyl 6-amino-4-(2-chlorophenyl)-5-cyano-3-(thiophen-2-ylcarbonyl)-4H-pyran-2-carboxylate
Catalog ID
STL434095
SMILES COC(=O)C1=C(C(C(=C(O1)N)C#N)c1ccccc1Cl)C(=O)c1cccs1
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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 C19H13ClN2O4S MW 400.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O4S/c1-25-19(24)17-15(16(23)13-7-4-8-27-13)14(11(9-21)18(22)26-17)10-5-2-3-6-12(10)20/h2-8,14H,22H2,1H3InChIKey
MXGRQOGSPJECSL-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2Cl)C(=O)C3=CC=CS3
InChI=1SC19H13ClN2O4Sc12519(24)1715(16(23)137482713)14(11(921)18(22)2617)10523612(10)20h2814H22H21H3
methyl6amino4(2chlorophenyl)5cyano3(thiophen2ylcarbonyl)4Hpyran2carboxylate
methyl6amino4(2chlorophenyl)5cyano3(thiophene2carbonyl)4Hpyran2carboxylate
MFCD26098449
ZINC000085408964
ZINC000085408968
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