Vitas-M small molecule compound
2-[(2-iodo-6-methoxy-4-{(E)-[1-(2-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STK071075
SMILES COc1cc(cc(c1OCc1ccccc1C#N)I)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1C
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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 C27H20IN3O5 MW 593.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20IN3O5/c1-16-7-3-6-10-22(16)31-26(33)20(25(32)30-27(31)34)11-17-12-21(28)24(23(13-17)35-2)36-15-19-9-5-4-8-18(19)14-29/h3-13H,15H2,1-2H3,(H,30,32,34)/b20-11+InChIKey
MITDRGWNKLFDKZ-RGVLZGJSSA-NSynonyms
2((2iodo6methoxy4((E)(1(2methylphenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzonitrile
2((2IODO6METHOXY4((E)(1(2METHYLPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
CC1=CC=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4C#N)OC)C(=O)NC2=O
COc1cc(cc(c1OCc1ccccc1C#N)I)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1C
InChI=1SC27H20IN3O5c1167361022(16)3126(33)20(25(32)3027(31)34)11171221(28)24(23(1317)352)361519954818(19)1429h313H15H212H3(H303234)b2011+
MFCD09586656
STK071075
ZINC000097966211
ZINC97966211
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