Vitas-M small molecule compound

2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK798952
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(o1)c1cc(Cl)ccc1Cl)/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)28-17(3)35-32-36(29(28)19-6-10-25(42-18(4)37)26(12-19)40-5)30(38)27(44-32)14-21-8-11-24(43-21)22-13-20(33)7-9-23(22)34/h6-14,16,29H,15H2,1-5H3/b27-14+
InChIKey
ITEARWODSUWKHP-MZJWZYIUSA-N
Synonyms

2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2((5(25dichlorophenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2((5(25dichlorophenyl)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)c1cc(Cl)ccc1Cl)s2)C(=O)OCC(C)C
InChI=1SC32H28Cl2N2O7Sc116(2)154131(39)2817(3)353236(29(28)1961025(4218(4)37)26(1219)405)30(38)27(4432)142181124(4321)221320(33)7923(22)34h6141629H15H215H3b2714+
MFCD03417931
ZINC000150398753
ZINC000150398755

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Available files

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