Vitas-M small molecule compound
4-[(4-{(1Z)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,6-diiodophenoxy)methyl]benzoic acid
Catalog ID
STK182383
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(I)c(c(c1)I)OCc1ccc(cc1)C(=O)O)/C#N
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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 C26H20I2N2O5 MW 694.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20I2N2O5/c1-2-34-21-9-7-20(8-10-21)30-25(31)19(14-29)11-17-12-22(27)24(23(28)13-17)35-15-16-3-5-18(6-4-16)26(32)33/h3-13H,2,15H2,1H3,(H,30,31)(H,32,33)/b19-11-InChIKey
XXHZTKVVKQESIM-ODLFYWEKSA-NSynonyms
4((4((1Z)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)26DIIODOPHENOXY)METHYL)BENZOICACID
4((4((Z)2cyano3(4ethoxyanilino)3oxoprop1enyl)26diiodophenoxy)methyl)benzoicacid
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)C(=O)O)I)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(I)c(c(c1)I)OCc1ccc(cc1)C(=O)O)C#N
InChI=1SC26H20I2N2O5c1234219720(81021)3025(31)19(1429)11171222(27)24(23(28)1317)3515163518(6416)26(32)33h313H215H21H3(H3031)(H3233)b1911
MFCD02194438
ZINC000097960710
ZINC97960710
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