Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK099870
SMILES CCc1nn2c(=NC(=O)/C(=C\c3ccc(c(c3)Br)OCc3ccccc3F)/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 C21H16BrFN4O2S MW 487.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrFN4O2S/c1-2-18-26-27-19(24)14(20(28)25-21(27)30-18)9-12-7-8-17(15(22)10-12)29-11-13-5-3-4-6-16(13)23/h3-10,24H,2,11H2,1H3/b14-9-,24-19-InChIKey
KVJMINYGPJJDQW-YHSWSOPPSA-NSynonyms
(6Z)6(3bromo4((2fluorobenzyl)oxy)benzylidene)2ethyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
CCc1nn2c(=NC(=O)C(=Cc3ccc(c(c3)Br)OCc3ccccc3F)C2=N)s1
MFCD08672987
STK099870
ZINC000013896279
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