Vitas-M small molecule compound

ethyl 2-oxo-5-{[(4-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]methyl}-2,3-dihydro-1H-imidazole-4-carboxylate

Catalog ID
STK236255
SMILES CCOC(=O)c1[nH]c(=O)[nH]c1CSC1=NC(=O)CN1c1ccccc1

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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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-2-24-14(22)13-11(17-15(23)19-13)9-25-16-18-12(21)8-20(16)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,17,19,23)
InChIKey
QEGBFIWCEZXEHA-UHFFFAOYSA-N
Synonyms
892672-02-5
892672025
CCOC(=O)c1(nH)c(=O)(nH)c1CSC1=NC(=O)CN1c1ccccc1
CCOC(=O)C1=C(NC(=O)N1)CSC2=NC(=O)CN2C3=CC=CC=C3
ethyl2oxo5(((4oxo1phenyl45dihydro1Himidazol2yl)sulfanyl)methyl)23dihydro1Himidazole4carboxylate
ethyl2oxo5((5oxo3phenyl4Himidazol2yl)sulfanylmethyl)13dihydroimidazole4carboxylate
InChI=1SC16H16N4O4Sc122414(22)1311(1715(23)1913)925161812(21)820(16)106435710h37H289H21H3(H2171923)
MFCD08558965
ZINC000009190177
ZINC09190177
ZINC9190177

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Available files

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