Vitas-M small molecule compound
prop-2-en-1-yl (2E)-5-[4-(acetyloxy)phenyl]-7-methyl-2-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793745
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1cn(nc1c1ccc(cc1)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 C36H30N4O5S MW 630.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N4O5S/c1-5-19-44-35(43)31-23(3)37-36-40(33(31)26-15-17-29(18-16-26)45-24(4)41)34(42)30(46-36)20-27-21-39(28-9-7-6-8-10-28)38-32(27)25-13-11-22(2)12-14-25/h5-18,20-21,33H,1,19H2,2-4H3/b30-20+InChIKey
OBKWBKOIFPPKHM-TWKHWXDSSA-NSynonyms
(Z)allyl5(4acetoxyphenyl)7methyl3oxo2((1phenyl3(ptolyl)1Hpyrazol4yl)methylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(7METHYL2((3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)3OXO6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)s2
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(C(=C(N=C4S3)C)C(=O)OCC=C)C5=CC=C(C=C5)OC(=O)C)C6=CC=CC=C6
InChI=1SC36H30N4O5Sc15194435(43)3123(3)373640(33(31)26151729(181626)4524(4)41)34(42)30(4636)20272139(2897681028)3832(27)25131122(2)121425h518202133H119H224H3b3020+
MFCD03029147
prop2en1yl(2E)5(4(acetyloxy)phenyl)7methyl2((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2E)5(4ACETYLOXYPHENYL)7METHYL2((3(4METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000097947671
ZINC000097947672
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