Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK015699
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccc(cc1)C)/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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-14-5-7-17(8-6-14)13-20-23(29)27-22(18-9-11-19(12-10-18)32-16(3)28)21(24(30)31-4)15(2)26-25(27)33-20/h5-13,22H,1-4H3/b20-13-InChIKey
LQDWXESPUJQEIJ-MOSHPQCFSA-NSynonyms
312937-45-4(Z)methyl5(4acetoxyphenyl)7methyl2(4methylbenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
312937454
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC(=O)C
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1)C)s2
InChI=1SC25H22N2O5Sc1145717(8614)132023(29)2722(1891119(121018)3216(3)28)21(24(30)314)15(2)2625(27)3320h51322H14H3b2013
METHYL(2Z)5(4(ACETYLOXY)PHENYL)7METHYL2(4METHYLBENZYLIDENE)3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL(2Z)5(4ACETYLOXYPHENYL)7METHYL2((4METHYLPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01794265
STK015699
ZINC000008984429
ZINC000008984431
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.