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methyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-2-({3-[4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK799362
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)/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 C39H38N4O7S MW 706.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H38N4O7S/c1-23(2)18-19-49-30-15-12-26(13-16-30)35-28(22-42(41-35)29-10-8-7-9-11-29)21-33-37(45)43-36(34(38(46)48-6)24(3)40-39(43)51-33)27-14-17-31(50-25(4)44)32(20-27)47-5/h7-17,20-23,36H,18-19H2,1-6H3/b33-21-
InChIKey
TUFVUBMZZIGXDN-HWIUFGAZSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCCC(C)C)C5=CC=CC=C5)SC2=N1)C6=CC(=C(C=C6)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OCCC(C)C)c1ccccc1)s2
InChI=1SC39H38N4O7Sc123(2)18194930151226(131630)3528(2242(4135)29108791129)213337(45)4336(34(38(46)486)24(3)4039(43)5133)27141731(5025(4)44)32(2027)475h717202336H1819H216H3b3321
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2((3(4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3(4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462407
ZINC000097946415
ZINC000097946416

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Available files

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