Vitas-M small molecule compound
(6E)-6-(3-bromo-4-hydroxybenzylidene)-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK094370
SMILES CCCCCc1nn2c(=NC(=O)/C(=C/c3ccc(c(c3)Br)O)/C2=N)s1
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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 C17H17BrN4O2S MW 421.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN4O2S/c1-2-3-4-5-14-21-22-15(19)11(16(24)20-17(22)25-14)8-10-6-7-13(23)12(18)9-10/h6-9,19,23H,2-5H2,1H3/b11-8+,19-15-InChIKey
CAEMABAYOFLRPV-NCOWYRMISA-NSynonyms
(6E)6(3bromo4hydroxybenzylidene)5imino2pentyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCCCCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Br)O)C2=N)s1
MFCD08672834
STK094370
ZINC000013895280
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