Vitas-M small molecule compound

benzyl 5-[4-(acetyloxy)-3-ethoxyphenyl]-2-ethyl-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK704562
SMILES CCOc1cc(ccc1OC(=O)C)C1N2C(=NC(=C1C(=O)OCc1ccccc1)C)SC(C2=O)CC

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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 C27H28N2O6S MW 508.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O6S/c1-5-22-25(31)29-24(19-12-13-20(35-17(4)30)21(14-19)33-6-2)23(16(3)28-27(29)36-22)26(32)34-15-18-10-8-7-9-11-18/h7-14,22,24H,5-6,15H2,1-4H3
InChIKey
YUUUGQDDLBJLBM-UHFFFAOYSA-N
Synonyms

benzyl5(4(acetyloxy)3ethoxyphenyl)2ethyl7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL5(4ACETYLOXY3ETHOXYPHENYL)2ETHYL7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC3=CC=CC=C3)C4=CC(=C(C=C4)OC(=O)C)OCC
InChI=1SC27H28N2O6Sc152225(31)2924(19121320(3517(4)30)21(1419)3362)23(16(3)2827(29)3622)26(32)341518108791118h7142224H5615H214H3
MFCD06285173
ZINC000003636859
ZINC000003636866

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Available files

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