Vitas-M small molecule compound
(6E)-6-(4-bromobenzylidene)-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225042
SMILES Brc1ccc(cc1)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
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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 C20H21BrN4OS MW 445.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4OS/c21-15-9-6-14(7-10-15)12-16-18(22)25-20(23-19(16)26)27-17(24-25)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13,22H,1-5,8,11H2/b16-12+,22-18-InChIKey
XHTPASXKFLXSNL-OASISPDLSA-NSynonyms
849028-04-2(6E)6(4bromobenzylidene)2(2cyclohexylethyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6(4bromobenzylidene)2(2cyclohexylethyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849028042
Brc1ccc(cc1)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD05681596
ZINC000013788377
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