Vitas-M small molecule compound

prop-2-en-1-yl (2E)-5-(3,4-dimethoxyphenyl)-2-(2-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK701677
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C\c1ccccc1F)/s2

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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 C26H23FN2O5S MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O5S/c1-5-12-34-25(31)22-15(2)28-26-29(23(22)17-10-11-19(32-3)20(13-17)33-4)24(30)21(35-26)14-16-8-6-7-9-18(16)27/h5-11,13-14,23H,1,12H2,2-4H3/b21-14+
InChIKey
UNWZRQMAYPRWKL-KGENOOAVSA-N
Synonyms
372496-51-0
(Z)allyl5(34dimethoxyphenyl)2(2fluorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
372496510
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccccc1F)s2
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3F)SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OCC=C
InChI=1SC26H23FN2O5Sc15123425(31)2215(2)282629(23(22)17101119(323)20(1317)334)24(30)21(3526)1416867918(16)27h511131423H112H224H3b2114+
MFCD03088569
prop2en1yl(2E)5(34dimethoxyphenyl)2(2fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2EN1YL5(34DIMETHOXYPHENYL)2((2FLUOROPHENYL)METHYLIDENE)7METHYL3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
prop2enyl(2E)5(34dimethoxyphenyl)2((2fluorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ZINC000019800476
ZINC000019800477

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Available files

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