Vitas-M small molecule compound
ethyl 3-{3-amino-5-[(4-bromobenzyl)sulfanyl]-4-cyanothiophen-2-yl}-3-oxopropanoate
Catalog ID
STK656088
SMILES CCOC(=O)CC(=O)c1sc(c(c1N)C#N)SCc1ccc(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 C17H15BrN2O3S2 MW 439.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15BrN2O3S2/c1-2-23-14(22)7-13(21)16-15(20)12(8-19)17(25-16)24-9-10-3-5-11(18)6-4-10/h3-6H,2,7,9,20H2,1H3InChIKey
RPKUTMTUMGQILH-UHFFFAOYSA-NSynonyms
1043384-22-01043384220
CCOC(=O)CC(=O)C1=C(C(=C(S1)SCC2=CC=C(C=C2)Br)C#N)N
ethyl3(3amino5((4bromobenzyl)sulfanyl)4cyanothiophen2yl)3oxopropanoate
ethyl3(3amino5((4bromobenzyl)thio)4cyanothiophen2yl)3oxopropanoate
ethyl3(3amino5((4bromophenyl)methylsulfanyl)4cyanothiophen2yl)3oxopropanoate
ETHYL3(3AMINO5((4BROMOPHENYL)METHYLTHIO)4CYANO(2THIENYL))3OXOPROPANOATE
InChI=1SC17H15BrN2O3S2c122314(22)713(21)1615(20)12(819)17(2516)249103511(18)6410h36H27920H21H3
MFCD13755986
ZINC000036353821
ZINC36353821
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