Vitas-M small molecule compound
methyl {[4-(4-bromophenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK001515
SMILES COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)Br
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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 C15H13BrN2O3S MW 381.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN2O3S/c1-21-14(20)8-22-15-12(7-17)11(6-13(19)18-15)9-2-4-10(16)5-3-9/h2-5,11H,6,8H2,1H3,(H,18,19)InChIKey
VSOFQKLZZVUXER-UHFFFAOYSA-NSynonyms
364596-97-4364596974
COC(=O)CSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)Br
COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)Br)C#N
InChI=1SC15H13BrN2O3Sc12114(20)8221512(717)11(613(19)1815)92410(16)539h2511H68H21H3(H1819)
METHYL((4(4BROMOPHENYL)3CYANO6HYDROXY45DIHYDROPYRIDIN2YL)SULFANYL)ACETATE
methyl((4(4bromophenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
methyl2((4(4bromophenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)acetate
METHYL2((4(4BROMOPHENYL)5CYANO2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
MFCD00405362
STK001515
ZINC000002196749
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