Vitas-M small molecule compound
5-{3-chloro-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK053689
SMILES CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1cc(C)cc(c1)C)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 C23H23ClN2O5S MW 474.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O5S/c1-4-29-19-12-15(10-17-21(27)25-23(32)26-22(17)28)11-18(24)20(19)31-6-5-30-16-8-13(2)7-14(3)9-16/h7-12H,4-6H2,1-3H3,(H2,25,26,27,28,32)InChIKey
ZOVPYEHEGUFYCU-UHFFFAOYSA-NSynonyms
5((3CHLORO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCCOC3=CC(=CC(=C3)C)C
CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1cc(C)cc(c1)C)Cl
InChI=1SC23H23ClN2O5Sc1429191215(101721(27)2523(32)2622(17)28)1118(24)20(19)31653016813(2)714(3)916h712H46H213H3(H22526272832)
MFCD05975436
STK053689
ZINC000009434914
ZINC09434914
ZINC9434914
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