Vitas-M small molecule compound

2-{[5-(acetylamino)-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide

Catalog ID
STK116303
SMILES O=C(Nc1cccc(c1)C)CSc1nc(O)c(c(=O)[nH]1)NC(=O)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 C15H16N4O4S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O4S/c1-8-4-3-5-10(6-8)17-11(21)7-24-15-18-13(22)12(14(23)19-15)16-9(2)20/h3-6H,7H2,1-2H3,(H,16,20)(H,17,21)(H2,18,19,22,23)
InChIKey
GLYPYPNIMCQOFH-UHFFFAOYSA-N
Synonyms
677749-89-2
2((5(ACETYLAMINO)4HYDROXY6OXO16DIHYDROPYRIMIDIN2YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2((5ACETAMIDO4HYDROXY6KETO1HPYRIMIDIN2YL)THIO)N(MTOLYL)ACETAMIDE
2((5ACETAMIDO4HYDROXY6OXO1HPYRIMIDIN2YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
2((5ACETAMIDO4HYDROXY6OXO1HPYRIMIDIN2YL)THIO)N(3METHYLPHENYL)ACETAMIDE
2((5ACETAMIDO4OXIDANYL6OXIDANYLIDENE1HPYRIMIDIN2YL)SULFANYL)N(3METHYLPHENYL)ETHANAMIDE
2(5ACETYLAMINO46DIHYDROXYPYRIMIDIN2YLSULFANYL)NMTOLYLACETAMIDE
677749892
CC1=CC(=CC=C1)NC(=O)CSC2=NC(=C(C(=O)N2)NC(=O)C)O
InChI=1SC15H16N4O4Sc1843510(68)1711(21)724151813(22)12(14(23)1915)169(2)20h36H7H212H3(H1620)(H1721)(H218192223)
MFCD03711246
O=C(Nc1cccc(c1)C)CSc1nc(O)c(c(=O)(nH)1)NC(=O)C
ZINC000018093759
ZINC18093759

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Available files

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