Vitas-M small molecule compound

ethyl 4-[4-amino-5-(pyrrolidin-1-ylcarbonyl)-2-thioxo-1,3-thiazol-3(2H)-yl]benzoate

Catalog ID
STL133965
SMILES CCOC(=O)c1ccc(cc1)n1c(=S)sc(c1N)C(=O)N1CCCC1

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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 C17H19N3O3S2 MW 377.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S2/c1-2-23-16(22)11-5-7-12(8-6-11)20-14(18)13(25-17(20)24)15(21)19-9-3-4-10-19/h5-8H,2-4,9-10,18H2,1H3
InChIKey
HWMTZGMJIDACFH-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCCC3)N
ethyl4(4amino5(pyrrolidin1ylcarbonyl)2thioxo13thiazol3(2H)yl)benzoate
ETHYL4(4AMINO5(PYRROLIDINE1CARBONYL)2SULFANYLIDENE13THIAZOL3YL)BENZOATE
InChI=1SC17H19N3O3S2c122316(22)115712(8611)2014(18)13(2517(20)24)15(21)199341019h58H2491018H21H3
MFCD02651603
ZINC000003018653
ZINC3018653

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Available files

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