Vitas-M small molecule compound

ethyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK799366
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1ccc(cc1)OC)c1ccccc1)/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 C36H32N4O7S MW 664.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O7S/c1-6-46-35(43)31-21(2)37-36-40(33(31)24-14-17-28(47-22(3)41)29(18-24)45-5)34(42)30(48-36)19-25-20-39(26-10-8-7-9-11-26)38-32(25)23-12-15-27(44-4)16-13-23/h7-20,33H,6H2,1-5H3/b30-19-
InChIKey
GUFUEILSEQVWSJ-FSGOGVSDSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cn(nc1c1ccc(cc1)OC)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC=CC=C6)S2)C
ethyl(2Z)5(4(acetyloxy)3methoxyphenyl)2((3(4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((3(4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H32N4O7Sc164635(43)3121(2)373640(33(31)24141728(4722(3)41)29(1824)455)34(42)30(4836)19252039(26108791126)3832(25)23121527(444)161323h72033H6H215H3b3019
MFCD03462411
ZINC000097946284
ZINC000097946285

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Available files

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