Vitas-M small molecule compound
methyl (2Z)-5-[4-(acetyloxy)phenyl]-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK794249
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OC)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 C34H28N4O6S MW 620.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4O6S/c1-20-29(33(41)43-4)31(23-12-16-27(17-13-23)44-21(2)39)38-32(40)28(45-34(38)35-20)18-24-19-37(25-8-6-5-7-9-25)36-30(24)22-10-14-26(42-3)15-11-22/h5-19,31H,1-4H3/b28-18-InChIKey
WFCNWLPCQQSLAU-VEILYXNESA-NSynonyms
(Z)methyl5(4acetoxyphenyl)2((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC(=O)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OC)c1ccccc1)s2
InChI=1SC34H28N4O6Sc12029(33(41)434)31(23121627(171323)4421(2)39)3832(40)28(4534(38)3520)18241937(258657925)3630(24)22101426(423)151122h51931H14H3b2818
methyl(2Z)5(4(acetyloxy)phenyl)2((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2Z)5(4ACETYLOXYPHENYL)2((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01949268
ZINC000097947547
ZINC000097947548
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