Vitas-M small molecule compound
5-[3-chloro-5-methoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK004548
SMILES COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccccc1)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 C20H17ClN2O5S MW 432.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S/c1-26-16-11-12(9-14-18(24)22-20(29)23-19(14)25)10-15(21)17(16)28-8-7-27-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H2,22,23,24,25,29)InChIKey
HOQOTDINFBARRX-UHFFFAOYSA-NSynonyms
6069-72-35((3CHLORO5METHOXY4(2PHENOXYETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(3CHLORO5METHOXY4(2PHENOXYETHOXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
6069723
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)OCCOC3=CC=CC=C3
COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(c1OCCOc1ccccc1)Cl
InChI=1SC20H17ClN2O5Sc126161112(91418(24)2220(29)2319(14)25)1015(21)17(16)288727135324613h26911H78H21H3(H22223242529)
MFCD02017770
STK004548
ZINC000002947021
ZINC02947021
ZINC2947021
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