Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798978
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1ccccc1Cl)/s2)C(=O)OCC(C)C
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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 C32H29ClN2O7S MW 621.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN2O7S/c1-17(2)16-40-31(38)28-18(3)34-32-35(29(28)20-10-12-25(41-19(4)36)26(14-20)39-5)30(37)27(43-32)15-21-11-13-24(42-21)22-8-6-7-9-23(22)33/h6-15,17,29H,16H2,1-5H3/b27-15+InChIKey
AOBKHBLSYDCTDM-JFLMPSFJSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2((5(2chlorophenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2((5(2chlorophenyl)furan2yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=CC=CC=C4Cl)SC2=N1)C5=CC(=C(C=C5)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1ccccc1Cl)s2)C(=O)OCC(C)C
InChI=1SC32H29ClN2O7Sc117(2)164031(38)2818(3)343235(29(28)20101225(4119(4)36)26(1420)395)30(37)27(4332)1521111324(4221)22867923(22)33h6151729H16H215H3b2715+
MFCD03417957
ZINC000100839618
ZINC000100839619
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.