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

Catalog ID
STK799070
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1cccc(c1)[N+](=O)[O-])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 C34H27N5O8S MW 665.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27N5O8S/c1-19-29(33(42)46-4)31(22-13-14-26(47-20(2)40)27(16-22)45-3)38-32(41)28(48-34(38)35-19)17-23-18-37(24-10-6-5-7-11-24)36-30(23)21-9-8-12-25(15-21)39(43)44/h5-18,31H,1-4H3/b28-17-
InChIKey
LINPHSMWTSWCMQ-QRQIAZFYSA-N
Synonyms

CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC(=CC=C4)(N+)(=O)(O))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(nc1c1cccc(c1)(N+)(=O)(O))c1ccccc1)s2
InChI=1SC34H27N5O8Sc11929(33(42)464)31(22131426(4720(2)40)27(1622)453)3832(41)28(4834(38)3519)17231837(24106571124)3630(23)21981225(1521)39(43)44h51831H14H3b2817
methyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl2((3(3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL2((3(3NITROPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03462248
ZINC000150398855
ZINC000150398858

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Available files

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