Vitas-M small molecule compound
(6E)-6-{[1-(4-ethoxyphenyl)-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
STL224858
SMILES CCOc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)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 C26H22FN5O2S MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5O2S/c1-4-34-19-11-9-18(10-12-19)31-15(2)13-17(16(31)3)14-21-23(28)32-26(29-24(21)33)35-25(30-32)20-7-5-6-8-22(20)27/h5-14,28H,4H2,1-3H3/b21-14+,28-23-InChIKey
CBZONFMNGHVSHM-ZRTQNQMWSA-NSynonyms
862246-66-0(6E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(2fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(4ethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)2(2fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
862246660
CCOc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1ccccc1F
MFCD05698452
ZINC000009292347
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