Vitas-M small molecule compound
(5E)-1-(3-chloro-2-methylphenyl)-5-[(6-ethoxy-1,3-benzodioxol-5-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189453
SMILES CCOc1cc2OCOc2cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
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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 C21H17ClN2O5S MW 444.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O5S/c1-3-27-16-9-18-17(28-10-29-18)8-12(16)7-13-19(25)23-21(30)24(20(13)26)15-6-4-5-14(22)11(15)2/h4-9H,3,10H2,1-2H3,(H,23,25,30)/b13-7+InChIKey
JXKCSCYEWXPJSK-NTUHNPAUSA-NSynonyms
(5E)1(3CHLORO2METHYLPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(3CHLORO2METHYLPHENYL)5((6ETHOXY13BENZODIOXOL5YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC2=C(C=C1C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C)OCO2
CCOc1cc2OCOc2cc1C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1C)Cl
InChI=1SC21H17ClN2O5Sc13271691817(28102918)812(16)71319(25)2321(30)24(20(13)26)1564514(22)11(15)2h49H310H212H3(H232530)b137+
MFCD03994364
ZINC000001133071
ZINC01133071
ZINC1133071
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