Vitas-M small molecule compound

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

Catalog ID
STK799077
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C/c1cn(nc1c1cccs1)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 C33H28N4O6S2 MW 640.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28N4O6S2/c1-5-42-32(40)28-19(2)34-33-37(30(28)21-13-14-24(43-20(3)38)25(16-21)41-4)31(39)27(45-33)17-22-18-36(23-10-7-6-8-11-23)35-29(22)26-12-9-15-44-26/h6-18,30H,5H2,1-4H3/b27-17-
InChIKey
XLHHTIBFXKKHES-PKAZHMFMSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cn(nc1c1cccs1)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=CS5)C6=CC=CC=C6)S2)C
ethyl(2Z)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2((1PHENYL3THIOPHEN2YLPYRAZOL4YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H28N4O6S2c154232(40)2819(2)343337(30(28)21131424(4320(3)38)25(1621)414)31(39)27(4533)17221836(23107681123)3529(22)26129154426h61830H5H214H3b2717
MFCD03462255
ZINC000097957659
ZINC000097957660

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Available files

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