Vitas-M small molecule compound
2-({2-iodo-6-methoxy-4-[(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STK042202
SMILES COc1cc(/C=C\2/N=C(OC2=O)c2ccccc2)cc(c1OCc1ccccc1C#N)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 C25H17IN2O4 MW 536.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17IN2O4/c1-30-22-13-16(12-21-25(29)32-24(28-21)17-7-3-2-4-8-17)11-20(26)23(22)31-15-19-10-6-5-9-18(19)14-27/h2-13H,15H2,1H3/b21-12+InChIKey
BYFRXLITKNRWML-CIAFOILYSA-NSynonyms
2((2IODO6METHOXY4((E)(5OXO2PHENYL13OXAZOL4(5H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2IODO6METHOXY4((E)(5OXO2PHENYL13OXAZOL4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
COC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)I)OCC4=CC=CC=C4C#N
COc1cc(C=C2N=C(OC2=O)c2ccccc2)cc(c1OCc1ccccc1C#N)I
InChI=1SC25H17IN2O4c130221316(122125(29)3224(2821)177324817)1120(26)23(22)3115191065918(19)1427h213H15H21H3b2112+
MFCD03227996
STK042202
ZINC000097958560
ZINC97958560
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