Vitas-M small molecule compound

methyl 6-amino-4-(4-bromo-5-methylthiophen-2-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK757174
SMILES COC(=O)C1=C(C)OC(=C(C1c1cc(c(s1)C)Br)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 C14H13BrN2O3S MW 369.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13BrN2O3S/c1-6-11(14(18)19-3)12(8(5-16)13(17)20-6)10-4-9(15)7(2)21-10/h4,12H,17H2,1-3H3
InChIKey
UDSDKGYEFLVWBH-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(S2)C)Br)C(=O)OC
InChI=1SC14H13BrN2O3Sc1611(14(18)193)12(8(516)13(17)206)1049(15)7(2)2110h412H17H213H3
METHYL(4R)6AMINO4(4BROMO5METHYLTHIOPHEN2YL)5CYANO2METHYL4HPYRAN3CARBOXYLATE
METHYL6AMINO4(4BROMO5METHYL(2THIENYL))5CYANO2METHYL4HPYRAN3CARBOXYLATE
methyl6amino4(4bromo5methylthiophen2yl)5cyano2methyl4Hpyran3carboxylate
MFCD01118512
ZINC000001022105
ZINC000001022106

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.