Vitas-M small molecule compound
(6Z)-6-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK085380
SMILES COc1cc(cc(c1OCc1ccccc1F)Br)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)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 C26H24BrFN4O3S MW 571.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrFN4O3S/c1-34-21-13-15(12-19(27)22(21)35-14-17-9-5-6-10-20(17)28)11-18-23(29)32-26(30-24(18)33)36-25(31-32)16-7-3-2-4-8-16/h5-6,9-13,16,29H,2-4,7-8,14H2,1H3/b18-11-,29-23-InChIKey
ZPPPUCDGQXDVBE-LCZKOMJCSA-NSynonyms
(6Z)6(3bromo4((2fluorobenzyl)oxy)5methoxybenzylidene)2cyclohexyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
COc1cc(cc(c1OCc1ccccc1F)Br)C=C1C(=O)N=c2n(C1=N)nc(s2)C1CCCCC1
MFCD02914723
STK085380
ZINC000097966235
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