Vitas-M small molecule compound
2-({2,6-dibromo-4-[(Z)-(1-ethyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}methyl)benzonitrile
Catalog ID
STL380544
SMILES CCN1C(=O)/C(=C/c2cc(Br)c(c(c2)Br)OCc2ccccc2C#N)/N(C1=S)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 C21H17Br2N3O2S MW 535.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br2N3O2S/c1-3-26-20(27)18(25(2)21(26)29)10-13-8-16(22)19(17(23)9-13)28-12-15-7-5-4-6-14(15)11-24/h4-10H,3,12H2,1-2H3/b18-10-InChIKey
CXTXCDPZWXWDJO-ZDLGFXPLSA-NSynonyms
2((26DIBROMO4((Z)(1ETHYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)METHYL)BENZONITRILE
2((26dibromo4((Z)(1ethyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)methyl)benzonitrile
CCN1C(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3C#N)Br)N(C1=S)C
CCN1C(=O)C(=Cc2cc(Br)c(c(c2)Br)OCc2ccccc2C#N)N(C1=S)C
InChI=1SC21H17Br2N3O2Sc132620(27)18(25(2)21(26)29)1013816(22)19(17(23)913)281215754614(15)1124h410H312H212H3b1810
MFCD04086991
ZINC000100300897
ZINC100300897
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