Vitas-M small molecule compound
(5E)-1-(3,4-dichlorophenyl)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK675474
SMILES COc1ccc2c(c1/C=C\1/C(=O)N(c3ccc(c(c3)Cl)Cl)C(=S)N(C1=O)c1ccccc1)cccc2
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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 C28H18Cl2N2O3S MW 533.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H18Cl2N2O3S/c1-35-25-14-11-17-7-5-6-10-20(17)21(25)16-22-26(33)31(18-8-3-2-4-9-18)28(36)32(27(22)34)19-12-13-23(29)24(30)15-19/h2-16H,1H3/b22-16+InChIKey
QXXNTXCFVXUYOD-CJLVFECKSA-NSynonyms
(5E)1(34DICHLOROPHENYL)5((2METHOXYNAPHTHALEN1YL)METHYLIDENE)3PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(34dichlorophenyl)5((2methoxynaphthalen1yl)methylidene)3phenyl2thioxodihydropyrimidine46(1H5H)dione
COC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)N(C(=S)N(C3=O)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
COc1ccc2c(c1C=C1C(=O)N(c3ccc(c(c3)Cl)Cl)C(=S)N(C1=O)c1ccccc1)cccc2
InChI=1SC28H18Cl2N2O3Sc135251411177561020(17)21(25)162226(33)31(188324918)28(36)32(27(22)34)19121323(29)24(30)1519h216H1H3b2216+
MFCD01821832
ZINC000100079391
ZINC100079391
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