Vitas-M small molecule compound
(6E)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STK712711
SMILES CCCc1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3)F)C)/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 C21H20FN5OS MW 409.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20FN5OS/c1-4-6-18-25-27-19(23)17(20(28)24-21(27)29-18)10-14-9-12(2)26(13(14)3)16-8-5-7-15(22)11-16/h5,7-11,23H,4,6H2,1-3H3/b17-10+,23-19-InChIKey
ZZGRFXLDHBPZBU-GMFGMJKXSA-NSynonyms
848869-77-2(6E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2propyl56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2propyl5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848869772
CCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)F)C)C2=N)s1
MFCD04197548
ZINC000005249778
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