Vitas-M small molecule compound
(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191620
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2ccc(c(c2)OCC)O)/C1=O
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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-3-27-15-7-5-6-14(12-15)23-20(26)16(19(25)22-21(23)29)10-13-8-9-17(24)18(11-13)28-4-2/h5-12,24H,3-4H2,1-2H3,(H,22,25,29)/b16-10-InChIKey
PUSXFHHDMRASKV-YBEGLDIGSA-NSynonyms
(5Z)5((3ETHOXY4HYDROXYPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(3ETHOXY4HYDROXYBENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)OCC)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)OCC)O)C1=O
InChI=1SC21H20N2O5Sc13271575614(1215)2320(26)16(19(25)2221(23)29)10138917(24)18(1113)2842h51224H34H212H3(H222529)b1610
MFCD02623762
ZINC000004742188
ZINC04742188
ZINC4742188
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