Vitas-M small molecule compound

ethyl N-{[(6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}glycinate

Catalog ID
STL084487
SMILES CCOC(=O)CNC(=O)CSc1nc2cc([nH]c2c(=O)[nH]1)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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-3-21-10(19)5-14-9(18)6-22-13-16-8-4-7(2)15-11(8)12(20)17-13/h4,15H,3,5-6H2,1-2H3,(H,14,18)(H,16,17,20)
InChIKey
SRTDHARMALPLIH-UHFFFAOYSA-N
Synonyms

CCOC(=O)CNC(=O)CSC1=NC(=O)C2=C(N1)C=C(N2)C
CCOC(=O)CNC(=O)CSc1nc2cc((nH)c2c(=O)(nH)1)C
ethyl2((2((6methyl4oxo15dihydropyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)acetate
ethylN(((6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)glycinate
InChI=1SC13H16N4O4Sc132110(19)5149(18)6221316847(2)1511(8)12(20)1713h415H356H212H3(H1418)(H161720)
MFCD18203057
ZINC000057522174
ZINC57522174

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Available files

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