Vitas-M small molecule compound
(5Z)-1-(3-ethoxyphenyl)-5-(2-hydroxy-3,5-diiodobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK189515
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C/c2cc(I)cc(c2O)I)/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 C19H14I2N2O4S MW 620.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14I2N2O4S/c1-2-27-13-5-3-4-12(9-13)23-18(26)14(17(25)22-19(23)28)7-10-6-11(20)8-15(21)16(10)24/h3-9,24H,2H2,1H3,(H,22,25,28)/b14-7-InChIKey
CNTMCESDMASYHY-AUWJEWJLSA-NSynonyms
(5Z)1(3ETHOXYPHENYL)5((2HYDROXY35DIIODOPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(3ETHOXYPHENYL)5(2HYDROXY35DIIODOBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)I)I)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(I)cc(c2O)I)C1=O
InChI=1SC19H14I2N2O4Sc12271353412(913)2318(26)14(17(25)2219(23)28)710611(20)815(21)16(10)24h3924H2H21H3(H222528)b147
MFCD02044569
ZINC000097960931
ZINC97960931
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