Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-7-methyl-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793767
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/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 C28H24N2O5S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S/c1-4-17-34-27(33)24-18(2)29-28-30(25(24)21-13-15-22(16-14-21)35-19(3)31)26(32)23(36-28)12-8-11-20-9-6-5-7-10-20/h4-16,25H,1,17H2,2-3H3/b11-8+,23-12-InChIKey
NKUALRRNJAQPLL-GVWDBFSNSA-NSynonyms
381713-10-6(Z)allyl5(4acetoxyphenyl)7methyl3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
381713106
4(2((2E)3PHENYLPROP2ENYLIDENE)7METHYL3OXO6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=CC=Cc1ccccc1)s2
CC1=C(C(N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OCC=C
InChI=1SC28H24N2O5Sc14173427(33)2418(2)292830(25(24)21131522(161421)3519(3)31)26(32)23(3628)128112096571020h41625H117H223H3b118+2312
MFCD02998643
prop2en1yl(2Z)5(4(acetyloxy)phenyl)7methyl3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)7METHYL3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000009043983
ZINC000009439346
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