Vitas-M small molecule compound
(5E)-5-(4-ethoxy-3-iodo-5-methoxybenzylidene)-1-(3-ethoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191773
SMILES CCOc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(I)c(c(c2)OC)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 C22H21IN2O5S MW 552.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21IN2O5S/c1-4-29-15-8-6-7-14(12-15)25-21(27)16(20(26)24-22(25)31)9-13-10-17(23)19(30-5-2)18(11-13)28-3/h6-12H,4-5H2,1-3H3,(H,24,26,31)/b16-9+InChIKey
IVXPTCUQGHWBNL-CXUHLZMHSA-NSynonyms
(5E)5((4ETHOXY3IODO5METHOXYPHENYL)METHYLIDENE)1(3ETHOXYPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4ETHOXY3IODO5METHOXYBENZYLIDENE)1(3ETHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC)OC)C(=O)NC2=S
CCOc1cccc(c1)N1C(=S)NC(=O)C(=Cc2cc(I)c(c(c2)OC)OCC)C1=O
InChI=1SC22H21IN2O5Sc14291586714(1215)2521(27)16(20(26)2422(25)31)9131017(23)19(3052)18(1113)283h612H45H213H3(H242631)b169+
MFCD02194187
ZINC000000852825
ZINC852825
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