Vitas-M small molecule compound
(6E)-6-{[1-(3-chloro-2-methylphenyl)-2,5-dimethyl-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
STL224907
SMILES Fc1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cccc(c3C)Cl)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 C25H19ClFN5OS MW 491.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClFN5OS/c1-13-11-17(15(3)31(13)21-6-4-5-20(26)14(21)2)12-19-22(28)32-25(29-23(19)33)34-24(30-32)16-7-9-18(27)10-8-16/h4-12,28H,1-3H3/b19-12+,28-22-InChIKey
BRRUEKYPSPIHHG-UBAGYHRESA-NSynonyms
1392296-25-1(6E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(4fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(3chloro2methylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(4fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
1392296251
Fc1ccc(cc1)c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cccc(c3C)Cl)C)C2=N)s1
MFCD05691580
ZINC000009309802
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