Vitas-M small molecule compound
(5E)-5-[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(2,3-dichlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL374339
SMILES C=CCOc1c(Cl)cc(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 C21H15Cl3N2O4S MW 497.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl3N2O4S/c1-3-7-30-18-14(23)9-11(10-16(18)29-2)8-12-19(27)25-21(31)26(20(12)28)15-6-4-5-13(22)17(15)24/h3-6,8-10H,1,7H2,2H3,(H,25,27,31)/b12-8+InChIKey
PUXPPONFMFYTRX-XYOKQWHBSA-NSynonyms
(5E)5((3CHLORO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(23DICHLOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3chloro5methoxy4(prop2en1yloxy)benzylidene)1(23dichlorophenyl)2thioxodihydropyrimidine46(1H5H)dione
C=CCOc1c(Cl)cc(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)Cl)OCC=C
InChI=1SC21H15Cl3N2O4Sc137301814(23)911(1016(18)292)81219(27)2521(31)26(20(12)28)1564513(22)17(15)24h36810H17H22H3(H252731)b128+
MFCD02637352
ZINC000002971680
ZINC02971680
ZINC2971680
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