Vitas-M small molecule compound
ethyl 4-(4-bromophenyl)-3-cyano-6-methyl-2-thioxo-3,4-dihydro-2H-pyran-5-carboxylate
Catalog ID
STL326194
SMILES CCOC(=O)C1=C(C)OC(=S)C(C1c1ccc(cc1)Br)C#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 C16H14BrNO3S MW 380.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrNO3S/c1-3-20-15(19)13-9(2)21-16(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7,12,14H,3H2,1-2H3InChIKey
PDXFKHDRRYBRGR-UHFFFAOYSA-NSynonyms
1010929-39-11010929391
CCOC(=O)C1=C(OC(=S)C(C1C2=CC=C(C=C2)Br)C#N)C
ethyl4(4bromophenyl)3cyano6methyl2sulfanylidene34dihydropyran5carboxylate
ethyl4(4bromophenyl)3cyano6methyl2thioxo34dihydro2Hpyran5carboxylate
InChI=1SC16H14BrNO3Sc132015(19)139(2)2116(22)12(818)14(13)104611(17)7510h471214H3H212H3
MFCD01877649
ZINC000005716763
ZINC000005716774
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