Vitas-M small molecule compound

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

Catalog ID
STK795875
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc(c(c2c(=O)n1c1ccccc1)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 C25H23N3O4S2 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4S2/c1-4-32-24(31)17-10-12-18(13-11-17)26-20(29)14-33-25-27-22-21(15(2)16(3)34-22)23(30)28(25)19-8-6-5-7-9-19/h5-13H,4,14H2,1-3H3,(H,26,29)
InChIKey
ZOAYKHIFUFPMTB-UHFFFAOYSA-N
Synonyms
335399-76-3
335399763
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2C4=CC=CC=C4
ethyl4((((56dimethyl4oxo3phenyl34dihydrothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ETHYL4((2(56DIMETHYL4OXO3PHENYLTHIENO(23D)PYRIMIDIN2YL)SULFANYLACETYL)AMINO)BENZOATE
ethyl4(2((56dimethyl4oxo3phenyl34dihydrothieno(23d)pyrimidin2yl)thio)acetamido)benzoate
ETHYL4(2((56DIMETHYL4OXO3PHENYL3H4HTHIENO(23D)PYRIMIDIN2YL)SULFANYL)ACETAMIDO)BENZOATE
ETHYL4(2(56DIMETHYL4OXO3PHENYL3HYDROTHIOPHENO(23D)PYRIMIDIN2YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC25H23N3O4S2c143224(31)17101218(131117)2620(29)143325272221(15(2)16(3)3422)23(30)28(25)198657919h513H414H213H3(H2629)
MFCD02741052
ZINC000000976985
ZINC00976985
ZINC976985

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Available files

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