Vitas-M small molecule compound
(6E)-6-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK027698
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cn(c4c3cccc4)Cc3ccccc3F)/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 C24H20FN5OS MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20FN5OS/c1-2-7-21-28-30-22(26)18(23(31)27-24(30)32-21)12-16-14-29(20-11-6-4-9-17(16)20)13-15-8-3-5-10-19(15)25/h3-6,8-12,14,26H,2,7,13H2,1H3/b18-12+,26-22+InChIKey
KBHXPFPNVPAHDA-KBOJYYLCSA-NSynonyms
(6E)6((1(2fluorobenzyl)1Hindol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(Z)6((1(2fluorobenzyl)1Hindol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
CCCc1nn2c(=NC(=O)C(=Cc3cn(c4c3cccc4)Cc3ccccc3F)C2=N)s1
MFCD03227340
STK027698
ZINC000009113694
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