Vitas-M small molecule compound
2-({2-ethoxy-4-[(Z)-(1-ethyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]-6-(prop-2-en-1-yl)phenoxy}methyl)benzonitrile
Catalog ID
STL369658
SMILES CCOc1cc(/C=C\2/C(=O)N(C(=S)N2C)CC)cc(c1OCc1ccccc1C#N)CC=C
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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 C26H27N3O3S MW 461.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N3O3S/c1-5-10-19-13-18(14-22-25(30)29(6-2)26(33)28(22)4)15-23(31-7-3)24(19)32-17-21-12-9-8-11-20(21)16-27/h5,8-9,11-15H,1,6-7,10,17H2,2-4H3/b22-14-InChIKey
PONRQATXKKVVFW-HMAPJEAMSA-NSynonyms
2((2ALLYL6ETHOXY4((1ETHYL3METHYL5OXO2THIOXOIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2ETHOXY4((Z)(1ETHYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)6PROP2ENYLPHENOXY)METHYL)BENZONITRILE
2((2ethoxy4((Z)(1ethyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)6(prop2en1yl)phenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C(=C2)OCC)OCC3=CC=CC=C3C#N)CC=C)N(C1=S)C
CCOc1cc(C=C2C(=O)N(C(=S)N2C)CC)cc(c1OCc1ccccc1C#N)CC=C
InChI=1SC26H27N3O3Sc1510191318(142225(30)29(62)26(33)28(22)4)1523(3173)24(19)32172112981120(21)1627h5891115H1671017H224H3b2214
MFCD03697186
ZINC000008396197
ZINC08396197
ZINC8396197
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