Vitas-M small molecule compound
(6E)-6-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224580
SMILES Fc1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3ccccc3C)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 C25H20FN5OS MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20FN5OS/c1-14-6-4-5-7-21(14)30-15(2)12-18(16(30)3)13-20-22(27)31-25(28-23(20)32)33-24(29-31)17-8-10-19(26)11-9-17/h4-13,27H,1-3H3/b20-13+,27-22-InChIKey
GKUYPLDRISBLSA-ZGKLTPNTSA-NSynonyms
877795-07-8(6E)6((25dimethyl1(2methylphenyl)1Hpyrrol3yl)methylidene)2(4fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((25dimethyl1(otolyl)1Hpyrrol3yl)methylene)2(4fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877795078
Fc1ccc(cc1)c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3ccccc3C)C)C2=N)s1
MFCD05702970
ZINC000009293469
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