Vitas-M small molecule compound

(6E)-6-{[1-(3,5-dimethylphenyl)-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
STL224717
SMILES Fc1ccc(cc1)c1nn2c(=NC(=O)/C(=C/c3cc(n(c3C)c3cc(C)cc(c3)C)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 C26H22FN5OS MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN5OS/c1-14-9-15(2)11-21(10-14)31-16(3)12-19(17(31)4)13-22-23(28)32-26(29-24(22)33)34-25(30-32)18-5-7-20(27)8-6-18/h5-13,28H,1-4H3/b22-13+,28-23-
InChIKey
LMRAGAXVYMWUKH-GSVAUOJLSA-N
Synonyms
848754-21-2
(6E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylidene)2(4fluorophenyl)5imino56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(35dimethylphenyl)25dimethyl1Hpyrrol3yl)methylene)2(4fluorophenyl)5imino5H(134)thiadiazolo(32a)pyrimidin7(6H)one
848754212
Fc1ccc(cc1)c1nn2c(=NC(=O)C(=Cc3cc(n(c3C)c3cc(C)cc(c3)C)C)C2=N)s1
MFCD04196664
ZINC000009210325

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Available files

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