Vitas-M small molecule compound

(5Z)-1-(3,5-dimethylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK190199
SMILES CCOc1cc2OCOc2cc1/C=C\1/C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)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 C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-4-27-17-10-19-18(28-11-29-19)9-14(17)8-16-20(25)23-22(30)24(21(16)26)15-6-12(2)5-13(3)7-15/h5-10H,4,11H2,1-3H3,(H,23,25,30)/b16-8-
InChIKey
XMWDBXMKVCSXBB-PXNMLYILSA-N
Synonyms

(5Z)1(35DIMETHYLPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(35DIMETHYLPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)C)C)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cc(C)cc(c1)C
InChI=1SC22H20N2O5Sc142717101918(28112919)914(17)81620(25)2322(30)24(21(16)26)15612(2)513(3)715h510H411H213H3(H232530)b168
MFCD04507686
ZINC000001161123
ZINC01161123
ZINC1161123

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Available files

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