Vitas-M small molecule compound
4-[(2,6-diiodo-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170304
SMILES COc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2cc(I)c(c(c2)I)OCc2ccc(cc2)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 C26H18I2N2O7 MW 724.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18I2N2O7/c1-36-18-8-6-17(7-9-18)30-24(32)19(23(31)29-26(30)35)10-15-11-20(27)22(21(28)12-15)37-13-14-2-4-16(5-3-14)25(33)34/h2-12H,13H2,1H3,(H,33,34)(H,29,31,35)/b19-10+InChIKey
XPFHYAXMOPABAK-VXLYETTFSA-NSynonyms
4((26DIIODO4((1(4METHOXYPHENYL)246TRIOXOTETRAHYDRO5(2H)PYRIMIDINYLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DIIODO4((E)(1(4METHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((26DIIODO4((E)(1(4METHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=C(C=C4)C(=O)O)I)C(=O)NC2=O
COc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2cc(I)c(c(c2)I)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC26H18I2N2O7c136188617(7918)3024(32)19(23(31)2926(30)35)10151120(27)22(21(28)1215)3713142416(5314)25(33)34h212H13H21H3(H3334)(H293135)b1910+
MFCD02070826
ZINC000097944545
ZINC97944545
Check stock
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Check stock on Vitas-MAvailable files
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