Vitas-M small molecule compound
(4-{(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,6-diiodophenoxy)acetic acid
Catalog ID
STK187879
SMILES CCc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(I)c(c(c2)I)OCC(=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 C21H16I2N2O5S MW 662.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16I2N2O5S/c1-2-11-3-5-13(6-4-11)25-20(29)14(19(28)24-21(25)31)7-12-8-15(22)18(16(23)9-12)30-10-17(26)27/h3-9H,2,10H2,1H3,(H,26,27)(H,24,28,31)/b14-7+InChIKey
UIVZZPRKSAROBZ-VGOFMYFVSA-NSynonyms
(4((E)(1(4ETHYLPHENYL)46DIOXO2THIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)26DIIODOPHENOXY)ACETICACID
2(4((E)(1(4ethylphenyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)26diiodophenoxy)aceticacid
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC(=O)O)I)C(=O)NC2=S
CCc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(I)c(c(c2)I)OCC(=O)O)C1=O
InChI=1SC21H16I2N2O5Sc12113513(6411)2520(29)14(19(28)2421(25)31)712815(22)18(16(23)912)301017(26)27h39H210H21H3(H2627)(H242831)b147+
MFCD02193829
ZINC000097960862
ZINC97960862
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