Vitas-M small molecule compound

methyl 4-({[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL339297
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc(c(c2c(=O)n1CC)C)C

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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 C20H21N3O4S2 MW 431.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4S2/c1-5-23-18(25)16-11(2)12(3)29-17(16)22-20(23)28-10-15(24)21-14-8-6-13(7-9-14)19(26)27-4/h6-9H,5,10H2,1-4H3,(H,21,24)
InChIKey
XLFQPWPJXQGIGI-UHFFFAOYSA-N
Synonyms
618427-61-5
618427615
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC)SC(=C2C)C
InChI=1SC20H21N3O4S2c152318(25)1611(2)12(3)2917(16)2220(23)281015(24)21148613(7914)19(26)274h69H510H214H3(H2124)
methyl4((((3ethyl56dimethyl4oxo34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2(3ETHYL56DIMETHYL4OXOTHIENO(23D)PYRIMIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2((3ETHYL56DIMETHYL4OXO34DIHYDROTHIENO(23D)PYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
METHYL4(2((3ETHYL56DIMETHYL4OXO3H4HTHIENO(23D)PYRIMIDIN2YL)SULFANYL)ACETAMIDO)BENZOATE
METHYL4(2(3ETHYL56DIMETHYL4OXO3HYDROTHIOPHENO(23D)PYRIMIDIN2YLTHIO)ACETYLAMINO)BENZOATE
MFCD04010320
ZINC000002351861
ZINC02351861
ZINC2351861

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Available files

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