Vitas-M small molecule compound

methyl 2-({[(3-ethyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL028665
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1CC

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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 C18H17N3O4S2 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S2/c1-3-21-16(23)15-13(8-9-26-15)20-18(21)27-10-14(22)19-12-7-5-4-6-11(12)17(24)25-2/h4-9H,3,10H2,1-2H3,(H,19,22)
InChIKey
CMHDOVDQRHKARO-UHFFFAOYSA-N
Synonyms
896793-58-1
896793581
CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC
InChI=1SC18H17N3O4S2c132116(23)1513(892615)2018(21)271014(22)1912754611(12)17(24)252h49H310H212H3(H1922)
methyl2((((3ethyl4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
METHYL2((2(3ETHYL4OXOTHIENO(32D)PYRIMIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD15091580
ZINC000002925196
ZINC02925196
ZINC2925196

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Available files

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