Vitas-M small molecule compound
benzyl 5-[4-(acetyloxy)-3-ethoxyphenyl]-2,7-dimethyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK704555
SMILES CCOc1cc(ccc1OC(=O)C)C1N2C(=NC(=C1C(=O)OCc1ccccc1)C)SC(C2=O)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 C26H26N2O6S MW 494.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O6S/c1-5-32-21-13-19(11-12-20(21)34-17(4)29)23-22(25(31)33-14-18-9-7-6-8-10-18)15(2)27-26-28(23)24(30)16(3)35-26/h6-13,16,23H,5,14H2,1-4H3InChIKey
YYRBAEUBSFLDSP-UHFFFAOYSA-NSynonyms
benzyl5(4(acetyloxy)3ethoxyphenyl)27dimethyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL5(4ACETYLOXY3ETHOXYPHENYL)27DIMETHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(S3)C)C)C(=O)OCC4=CC=CC=C4)OC(=O)C
InChI=1SC26H26N2O6Sc1532211319(111220(21)3417(4)29)2322(25(31)33141897681018)15(2)272628(23)24(30)16(3)3526h6131623H514H214H3
MFCD04211918
ZINC000001108434
ZINC000001108437
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