Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-{[5-(2,3-dichlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798138
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(o1)c1cccc(c1Cl)Cl)/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 C29H22Cl2N2O7S MW 613.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22Cl2N2O7S/c1-14-24(28(36)38-4)26(16-8-10-21(39-15(2)34)22(12-16)37-3)33-27(35)23(41-29(33)32-14)13-17-9-11-20(40-17)18-6-5-7-19(30)25(18)31/h5-13,26H,1-4H3/b23-13+InChIKey
GXQRBLJEOOFAKB-YDZHTSKRSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)SC2=N1)C5=CC(=C(C=C5)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(o1)c1cccc(c1Cl)Cl)s2
InChI=1SC29H22Cl2N2O7Sc11424(28(36)384)26(1681021(3915(2)34)22(1216)373)3327(35)23(4129(33)3214)131791120(4017)1865719(30)25(18)31h51326H14H3b2313+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2((5(23dichlorophenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)2((5(23dichlorophenyl)furan2yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417552
ZINC000100838311
ZINC000100838312
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.