Vitas-M small molecule compound

(4-{(Z)-[1-(3,5-dimethylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-ethoxy-6-iodophenoxy)acetic acid

Catalog ID
STK170356
SMILES CCOc1cc(/C=C\2/C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)O)I

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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 C23H21IN2O7 MW 564.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21IN2O7/c1-4-32-18-10-14(9-17(24)20(18)33-11-19(27)28)8-16-21(29)25-23(31)26(22(16)30)15-6-12(2)5-13(3)7-15/h5-10H,4,11H2,1-3H3,(H,27,28)(H,25,29,31)/b16-8-
InChIKey
ANPYYDASWLSBHG-PXNMLYILSA-N
Synonyms

(4((Z)(1(35DIMETHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2ETHOXY6IODOPHENOXY)ACETICACID
2(4((Z)(1(35DIMETHYLPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)2ETHOXY6IODOPHENOXY)ACETICACID
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC(=C3)C)C)I)OCC(=O)O
CCOc1cc(C=C2C(=O)NC(=O)N(C2=O)c2cc(C)cc(c2)C)cc(c1OCC(=O)O)I
InChI=1SC23H21IN2O7c1432181014(917(24)20(18)331119(27)28)81621(29)2523(31)26(22(16)30)15612(2)513(3)715h510H411H213H3(H2728)(H252931)b168
MFCD02623907
ZINC000097960533
ZINC97960533

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Available files

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