Vitas-M small molecule compound
prop-2-en-1-yl (2Z)-5-[4-(acetyloxy)phenyl]-2-(2-chlorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK793766
SMILES C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C/c1ccccc1Cl)/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 C26H21ClN2O5S MW 508.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O5S/c1-4-13-33-25(32)22-15(2)28-26-29(23(22)17-9-11-19(12-10-17)34-16(3)30)24(31)21(35-26)14-18-7-5-6-8-20(18)27/h4-12,14,23H,1,13H2,2-3H3/b21-14-InChIKey
HRAPEKUBVSFGCT-STZFKDTASA-NSynonyms
(Z)allyl5(4acetoxyphenyl)2(2chlorobenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
4(2((2CHLOROPHENYL)METHYLENE)7METHYL3OXO6(PROP2ENYLOXYCARBONYL)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDIN5YL)PHENYLACETATE
C=CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccccc1Cl)s2
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3Cl)SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OCC=C
InChI=1SC26H21ClN2O5Sc14133325(32)2215(2)282629(23(22)1791119(121017)3416(3)30)24(31)21(3526)1418756820(18)27h4121423H113H223H3b2114
MFCD02985582
prop2en1yl(2Z)5(4(acetyloxy)phenyl)2(2chlorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROP2ENYL(2Z)5(4ACETYLOXYPHENYL)2((2CHLOROPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000001804942
ZINC000001804946
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