Vitas-M small molecule compound
(5E)-5-{4-[(2-chlorobenzyl)oxy]-3-ethoxybenzylidene}-1-methyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK081979
SMILES CCOc1cc(ccc1OCc1ccccc1Cl)/C=C/1\C(=O)NC(=S)N(C1=O)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 C21H19ClN2O4S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O4S/c1-3-27-18-11-13(10-15-19(25)23-21(29)24(2)20(15)26)8-9-17(18)28-12-14-6-4-5-7-16(14)22/h4-11H,3,12H2,1-2H3,(H,23,25,29)/b15-10+InChIKey
WBPOVCBKHUNFIL-XNTDXEJSSA-NSynonyms
(5E)5((4((2CHLOROPHENYL)METHOXY)3ETHOXYPHENYL)METHYLIDENE)1METHYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4((2CHLOROBENZYL)OXY)3ETHOXYBENZYLIDENE)1METHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C)OCC3=CC=CC=C3Cl
CCOc1cc(ccc1OCc1ccccc1Cl)C=C1C(=O)NC(=S)N(C1=O)C
InChI=1SC21H19ClN2O4Sc1327181113(101519(25)2321(29)24(2)20(15)26)8917(18)281214645716(14)22h411H312H212H3(H232529)b1510+
MFCD03226789
STK081979
ZINC000009311645
ZINC09311645
ZINC9311645
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