Vitas-M small molecule compound
(5Z)-1-(4-ethoxyphenyl)-5-[(5-iodofuran-2-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188044
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(o2)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 C17H13IN2O4S MW 468.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13IN2O4S/c1-2-23-11-5-3-10(4-6-11)20-16(22)13(15(21)19-17(20)25)9-12-7-8-14(18)24-12/h3-9H,2H2,1H3,(H,19,21,25)/b13-9-InChIKey
CXPWRYXRAKEOBW-LCYFTJDESA-NSynonyms
(5Z)1(4ETHOXYPHENYL)5((5IODOFURAN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)1(4ETHOXYPHENYL)5((5IODOFURAN2YL)METHYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)I)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(o2)I)C1=O
InChI=1SC17H13IN2O4Sc1223115310(4611)2016(22)13(15(21)1917(20)25)9127814(18)2412h39H2H21H3(H192125)b139
MFCD04598677
ZINC000006508380
ZINC06508380
ZINC6508380
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