Vitas-M small molecule compound
(6E)-6-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-heptyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224661
SMILES CCCCCCCc1nn2c(=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 C25H28FN5OS MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28FN5OS/c1-4-5-6-7-8-12-22-29-31-23(27)21(24(32)28-25(31)33-22)14-18-13-16(2)30(17(18)3)20-11-9-10-19(26)15-20/h9-11,13-15,27H,4-8,12H2,1-3H3/b21-14+,27-23-InChIKey
BOCZMPVTYUBFSR-UDAXPUTOSA-NSynonyms
849017-13-6(6E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylidene)2heptyl5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3fluorophenyl)25dimethyl1Hpyrrol3yl)methylene)2heptyl5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849017136
CCCCCCCc1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3)F)C)C2=N)s1
MFCD05680770
ZINC000101187167
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