Vitas-M small molecule compound
1-{4-[5-chloro-3-methoxy-2-(propan-2-yloxy)phenyl]-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl}ethanone
Catalog ID
STL181600
SMILES COc1cc(Cl)cc(c1OC(C)C)C1NC(=S)NC(=C1C(=O)C)c1ccccc1
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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 C22H23ClN2O3S MW 430.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O3S/c1-12(2)28-21-16(10-15(23)11-17(21)27-4)20-18(13(3)26)19(24-22(29)25-20)14-8-6-5-7-9-14/h5-12,20H,1-4H3,(H2,24,25,29)InChIKey
YONDWWOBHVRUQI-UHFFFAOYSA-NSynonyms
1(4(5chloro3methoxy2(propan2yloxy)phenyl)6phenyl2thioxo1234tetrahydropyrimidin5yl)ethanone
1(4(5CHLORO3METHOXY2PROPAN2YLOXYPHENYL)6PHENYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDIN5YL)ETHANONE
CC(C)OC1=C(C=C(C=C1C2C(=C(NC(=S)N2)C3=CC=CC=C3)C(=O)C)Cl)OC
InChI=1SC22H23ClN2O3Sc112(2)282116(1015(23)1117(21)274)2018(13(3)26)19(2422(29)2520)148657914h51220H14H3(H2242529)
MFCD06196505
ZINC000001126726
ZINC000001126727
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