Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374328
SMILES C=CCOc1ccc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)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 C21H16Cl2N2O4S MW 463.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O4S/c1-3-9-29-16-8-7-12(11-17(16)28-2)10-13-19(26)24-21(30)25(20(13)27)15-6-4-5-14(22)18(15)23/h3-8,10-11H,1,9H2,2H3,(H,24,26,30)/b13-10+InChIKey
NUUWOBQYVUHJLP-JLHYYAGUSA-NSynonyms
(5E)1(23DICHLOROPHENYL)5((3METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(23dichlorophenyl)5(3methoxy4(prop2en1yloxy)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
C=CCOc1ccc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)OCC=C
InChI=1SC21H16Cl2N2O4Sc13929168712(1117(16)282)101319(26)2421(30)25(20(13)27)1564514(22)18(15)23h381011H19H22H3(H242630)b1310+
MFCD02637651
ZINC000002972701
ZINC02972701
ZINC2972701
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