Vitas-M small molecule compound

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

Catalog ID
STK198952
SMILES CCOc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1OC)OC

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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 C22H20N2O7S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7S/c1-4-29-16-10-19-18(30-11-31-19)8-12(16)7-14-20(25)23-22(32)24(21(14)26)15-6-5-13(27-2)9-17(15)28-3/h5-10H,4,11H2,1-3H3,(H,23,25,32)/b14-7+
InChIKey
WAXQWODFONRZAP-VGOFMYFVSA-N
Synonyms

(5E)1(24DIMETHOXYPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(24DIMETHOXYPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)OC)OC)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1OC)OC
InChI=1SC22H20N2O7Sc142916101918(30113119)812(16)71420(25)2322(32)24(21(14)26)156513(272)917(15)283h510H411H213H3(H232532)b147+
MFCD03722757
ZINC000002833391
ZINC02833391
ZINC2833391

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Available files

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