Vitas-M small molecule compound
2-[(2-{(Z)-[1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-ylidene]methyl}phenoxy)methyl]benzonitrile
Catalog ID
STL374499
SMILES COc1ccc(cc1)N1C(=S)N/C(=C\c2ccccc2OCc2ccccc2C#N)/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 C25H19N3O3S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O3S/c1-30-21-12-10-20(11-13-21)28-24(29)22(27-25(28)32)14-17-6-4-5-9-23(17)31-16-19-8-3-2-7-18(19)15-26/h2-14H,16H2,1H3,(H,27,32)/b22-14-InChIKey
KLVSNYNKFYTVFK-HMAPJEAMSA-NSynonyms
2((2((Z)(1(4METHOXYPHENYL)5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((2((Z)(1(4methoxyphenyl)5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)methyl)benzonitrile
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OCC4=CC=CC=C4C#N)NC2=S
COc1ccc(cc1)N1C(=S)NC(=Cc2ccccc2OCc2ccccc2C#N)C1=O
InChI=1SC25H19N3O3Sc13021121020(111321)2824(29)22(2725(28)32)1417645923(17)311619832718(19)1526h214H16H21H3(H2732)b2214
MFCD02952261
ZINC000009295730
ZINC09295730
ZINC9295730
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