Vitas-M small molecule compound

2-methylpropyl (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
STK798953
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1cccc(c1Cl)Cl)/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 C32H28Cl2N2O7S MW 655.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Cl2N2O7S/c1-16(2)15-41-31(39)27-17(3)35-32-36(29(27)19-9-11-24(42-18(4)37)25(13-19)40-5)30(38)26(44-32)14-20-10-12-23(43-20)21-7-6-8-22(33)28(21)34/h6-14,16,29H,15H2,1-5H3/b26-14+
InChIKey
RKRUEDJDNWGCPI-VULFUBBASA-N
Synonyms

2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2((5(23dichlorophenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2((5(23dichlorophenyl)furan2yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
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)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(o1)c1cccc(c1Cl)Cl)s2)C(=O)OCC(C)C
InChI=1SC32H28Cl2N2O7Sc116(2)154131(39)2717(3)353236(29(27)1991124(4218(4)37)25(1319)405)30(38)26(4432)1420101223(4320)2176822(33)28(21)34h6141629H15H215H3b2614+
MFCD03417932
ZINC000150398759
ZINC000150398762

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.