Vitas-M small molecule compound

(5E)-5-{[(1,1-dioxido-2,3-dihydrothiophen-3-yl)amino]methylidene}-6-hydroxy-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione

Catalog ID
STK610261
SMILES COc1ccc(cc1)CN1C(=O)N=C(/C(=C\NC2C=CS(=O)(=O)C2)/C1=O)O

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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 C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-26-13-4-2-11(3-5-13)9-20-16(22)14(15(21)19-17(20)23)8-18-12-6-7-27(24,25)10-12/h2-8,12,18H,9-10H2,1H3,(H,19,21,23)/b14-8+
InChIKey
OZJPVROGEVQSRO-RIYZIHGNSA-N
Synonyms

COc1ccc(cc1)CN1C(=O)N=C(C(=CNC2C=CS(=O)(=O)C2)C1=O)O
MFCD08737250
ZINC000020624005
ZINC000020624008

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Available files

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