Vitas-M small molecule compound

ethyl 5-{[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylate

Catalog ID
STK071995
SMILES CCOC(=O)c1[nH]c(=O)[nH]c1CSC1=NC(=O)C(C(=O)N1)CC

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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 C13H16N4O5S MW 340.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O5S/c1-3-6-9(18)16-13(17-10(6)19)23-5-7-8(11(20)22-4-2)15-12(21)14-7/h6H,3-5H2,1-2H3,(H2,14,15,21)(H,16,17,18,19)
InChIKey
NHASCKRQHGGQLC-UHFFFAOYSA-N
Synonyms

CCC1C(=O)NC(=NC1=O)SCC2=C(NC(=O)N2)C(=O)OCC
CCOC(=O)c1(nH)c(=O)(nH)c1CSC1=NC(=O)C(C(=O)N1)CC
ethyl5(((5ethyl46dioxo1456tetrahydropyrimidin2yl)sulfanyl)methyl)2oxo23dihydro1Himidazole4carboxylate
ETHYL5(((5R)5ETHYL46DIOXO1HPYRIMIDIN2YL)SULFANYLMETHYL)2OXO13DIHYDROIMIDAZOLE4CARBOXYLATE
ETHYL5(((5S)5ETHYL46DIOXO1HPYRIMIDIN2YL)SULFANYLMETHYL)2OXO13DIHYDROIMIDAZOLE4CARBOXYLATE
ETHYL5((5ETHYL46DIOXO1HPYRIMIDIN2YL)SULFANYLMETHYL)2OXO13DIHYDROIMIDAZOLE4CARBOXYLATE
InChI=1SC13H16N4O5Sc1369(18)1613(1710(6)19)23578(11(20)2242)1512(21)147h6H35H212H3(H2141521)(H16171819)
MFCD01239672
STK071995
ZINC000004474833
ZINC04474833
ZINC04474834
ZINC4474833

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Available files

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