Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK701525
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccccc1)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 C35H28N4O5S MW 616.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H28N4O5S/c1-4-19-43-34(42)30-22(2)36-35-39(32(30)25-15-17-28(18-16-25)44-23(3)40)33(41)29(45-35)20-26-21-38(27-13-9-6-10-14-27)37-31(26)24-11-7-5-8-12-24/h4-18,20-21,32H,1,19H2,2-3H3/b29-20-InChIKey
QQMBUZCDHFRIHO-BRPDVVIDSA-NSynonyms
(Z)allyl5(4acetoxyphenyl)2((13diphenyl1Hpyrazol4yl)methylene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccccc1)c1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)C6=CC=C(C=C6)OC(=O)C)C(=O)OCC=C
InChI=1SC35H28N4O5Sc14194334(42)3022(2)363539(32(30)25151728(181625)4423(3)40)33(41)29(4535)20262138(271396101427)3731(26)24117581224h418202132H119H223H3b2920
MFCD02988969
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2((13diphenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)2((13DIPHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097946057
ZINC000097946058
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