Vitas-M small molecule compound
(5E)-5-(4-ethoxy-3-iodobenzylidene)-1-(4-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK108811
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2ccc(c(c2)I)OCC)/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 C21H19IN2O4S MW 522.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19IN2O4S/c1-3-27-15-8-6-14(7-9-15)24-20(26)16(19(25)23-21(24)29)11-13-5-10-18(28-4-2)17(22)12-13/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b16-11+InChIKey
RVYGXLOWAUGZDG-LFIBNONCSA-NSynonyms
(5E)5((4ETHOXY3IODOPHENYL)METHYLIDENE)1(4ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4ETHOXY3IODOBENZYLIDENE)1(4ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC)I)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(c(c2)I)OCC)C1=O
InChI=1SC21H19IN2O4Sc1327158614(7915)2420(26)16(19(25)2321(24)29)111351018(2842)17(22)1213h512H34H212H3(H232529)b1611+
MFCD03065426
ZINC000097959564
ZINC97959564
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