Vitas-M small molecule compound

ethyl 4-{3-[(5-butyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate

Catalog ID
STL148708
SMILES CCCCc1c(O)nc([nH]c1=O)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OCC

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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 C21H23N3O6S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6S/c1-3-5-6-14-17(26)22-21(23-18(14)27)31-15-11-16(25)24(19(15)28)13-9-7-12(8-10-13)20(29)30-4-2/h7-10,15H,3-6,11H2,1-2H3,(H2,22,23,26,27)
InChIKey
FPGIEPAUANAEKH-UHFFFAOYSA-N
Synonyms
674816-52-5
674816525
CCCCc1c(O)nc((nH)c1=O)SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)OCC
MFCD04077471
ZINC000100120596

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Available files

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