Vitas-M small molecule compound
{4-bromo-2-[(Z)-(1-cyclohexyl-3-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]phenoxy}acetonitrile
Catalog ID
STL375345
SMILES CN1C(=S)N(C(=O)/C/1=C/c1cc(Br)ccc1OCC#N)C1CCCCC1
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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 C19H20BrN3O2S MW 434.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrN3O2S/c1-22-16(12-13-11-14(20)7-8-17(13)25-10-9-21)18(24)23(19(22)26)15-5-3-2-4-6-15/h7-8,11-12,15H,2-6,10H2,1H3/b16-12-InChIKey
SEMLZSAPVHBXFG-VBKFSLOCSA-NSynonyms
(4BROMO2((1CYCLOHEXYL3METHYL5OXO2THIOXO4IMIDAZOLIDINYLIDENE)METHYL)PHENOXY)ACETONITRILE
(4bromo2((Z)(1cyclohexyl3methyl5oxo2thioxoimidazolidin4ylidene)methyl)phenoxy)acetonitrile
2(4BROMO2((Z)(1CYCLOHEXYL3METHYL5OXO2SULFANYLIDENEIMIDAZOLIDIN4YLIDENE)METHYL)PHENOXY)ACETONITRILE
CN1C(=CC2=C(C=CC(=C2)Br)OCC#N)C(=O)N(C1=S)C3CCCCC3
CN1C(=S)N(C(=O)C1=Cc1cc(Br)ccc1OCC#N)C1CCCCC1
InChI=1SC19H20BrN3O2Sc12216(12131114(20)7817(13)2510921)18(24)23(19(22)26)155324615h78111215H2610H21H3b1612
MFCD03861922
ZINC000008396563
ZINC08396563
ZINC8396563
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