Vitas-M small molecule compound
(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(2-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224721
SMILES O=C1N=c2sc(nn2C(=N)/C/1=C\c1cc(n(c1C)c1ccc(c(c1)C)C)C)c1ccccc1F
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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 C26H22FN5OS MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5OS/c1-14-9-10-19(11-15(14)2)31-16(3)12-18(17(31)4)13-21-23(28)32-26(29-24(21)33)34-25(30-32)20-7-5-6-8-22(20)27/h5-13,28H,1-4H3/b21-13+,28-23-InChIKey
GGNGRMOBDQQNQA-SDCQNQORSA-NSynonyms
849828-34-8(6E)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(34dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
849828348
MFCD05688348
O=C1N=c2sc(nn2C(=N)C1=Cc1cc(n(c1C)c1ccc(c(c1)C)C)C)c1ccccc1F
ZINC000009309581
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