Vitas-M small molecule compound
(5E)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK112271
SMILES CCOc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccccc1OC
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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 C21H18N2O6S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6S/c1-3-27-16-10-18-17(28-11-29-18)9-12(16)8-13-19(24)22-21(30)23(20(13)25)14-6-4-5-7-15(14)26-2/h4-10H,3,11H2,1-2H3,(H,22,24,30)/b13-8+InChIKey
LIECAHXHRRSEFF-MDWZMJQESA-NSynonyms
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)1(2METHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)1(2METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4OC)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1ccccc1OC
InChI=1SC21H18N2O6Sc132716101817(28112918)912(16)81319(24)2221(30)23(20(13)25)14645715(14)262h410H311H212H3(H222430)b138+
MFCD04127340
ZINC000012469317
ZINC12469317
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