Vitas-M small molecule compound
3-[(4-{(E)-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-ylidene]methyl}-2-iodo-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK155197
SMILES C=CCN1C(=O)S/C(=C/c2cc(I)c(c(c2)OC)OCc2cccc(c2)C(=O)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 C22H18INO6S MW 551.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18INO6S/c1-3-7-24-20(25)18(31-22(24)28)11-14-9-16(23)19(17(10-14)29-2)30-12-13-5-4-6-15(8-13)21(26)27/h3-6,8-11H,1,7,12H2,2H3,(H,26,27)/b18-11+InChIKey
VYOATKBVWRFPTA-WOJGMQOQSA-NSynonyms
3((4((E)(24DIOXO3(PROP2EN1YL)13THIAZOLIDIN5YLIDENE)METHYL)2IODO6METHOXYPHENOXY)METHYL)BENZOICACID
3((4((E)(24dioxo3prop2enyl13thiazolidin5ylidene)methyl)2iodo6methoxyphenoxy)methyl)benzoicacid
C=CCN1C(=O)SC(=Cc2cc(I)c(c(c2)OC)OCc2cccc(c2)C(=O)O)C1=O
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC=C)I)OCC3=CC=CC(=C3)C(=O)O
InChI=1SC22H18INO6Sc1372420(25)18(3122(24)28)1114916(23)19(17(1014)292)30121354615(813)21(26)27h36811H1712H22H3(H2627)b1811+
MFCD03923355
ZINC000097960192
ZINC97960192
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