Vitas-M small molecule compound
(6E)-6-[(5-bromofuran-2-yl)methylidene]-2-(2-cyclohexylethyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL225037
SMILES Brc1ccc(o1)/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 C18H19BrN4O2S MW 435.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O2S/c19-14-8-7-12(25-14)10-13-16(20)23-18(21-17(13)24)26-15(22-23)9-6-11-4-2-1-3-5-11/h7-8,10-11,20H,1-6,9H2/b13-10+,20-16-InChIKey
SEUQEJOCTJXBPB-GHAMAFACSA-NSynonyms
(6E)6((5bromofuran2yl)methylidene)2(2cyclohexylethyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((5bromofuran2yl)methylene)2(2cyclohexylethyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
Brc1ccc(o1)C=C1C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1
MFCD24858009
ZINC000080348236
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