Vitas-M small molecule compound
5-{3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxybenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK004579
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(c(c1)C)Cl)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 C21H18Cl2N2O5S MW 481.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O5S/c1-11-7-13(3-4-15(11)22)29-5-6-30-18-16(23)9-12(10-17(18)28-2)8-14-19(26)24-21(31)25-20(14)27/h3-4,7-10H,5-6H2,1-2H3,(H2,24,25,26,27,31)InChIKey
RGBFNGGMTIQGIF-UHFFFAOYSA-NSynonyms
5((3CHLORO4(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO4(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
5(3CHLORO4(2(4CHLORO3METHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CC1=C(C=CC(=C1)OCCOC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)NC3=O)OC)Cl
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccc(c(c1)C)Cl)Cl
InChI=1SC21H18Cl2N2O5Sc111713(3415(11)22)2956301816(23)912(1017(18)282)81419(26)2421(31)2520(14)27h34710H56H212H3(H22425262731)
MFCD03183751
STK004579
ZINC000002149646
ZINC02149646
ZINC2149646
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