Vitas-M small molecule compound
7-(3-ethoxy-4-propoxyphenyl)-3-hydroxy-3-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
Catalog ID
STK827196
SMILES CCCOc1ccc(cc1OCC)C1CC(=O)N2C(=C1C#N)SCC2(O)c1ccc(cc1)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 C26H28N2O4S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4S/c1-4-12-32-22-11-8-18(13-23(22)31-5-2)20-14-24(29)28-25(21(20)15-27)33-16-26(28,30)19-9-6-17(3)7-10-19/h6-11,13,20,30H,4-5,12,14,16H2,1-3H3InChIKey
HTKMVBBZLRJWFW-UHFFFAOYSA-NSynonyms
7(3ethoxy4propoxyphenyl)3hydroxy3(4methylphenyl)5oxo2367tetrahydro5H(13)thiazolo(32a)pyridine8carbonitrile
7(3ethoxy4propoxyphenyl)3hydroxy3(4methylphenyl)5oxo67dihydro2H(13)thiazolo(32a)pyridine8carbonitrile
CCCOC1=C(C=C(C=C1)C2CC(=O)N3C(=C2C#N)SCC3(C4=CC=C(C=C4)C)O)OCC
InChI=1SC26H28N2O4Sc1412322211818(1323(22)3152)201424(29)2825(21(20)1527)331626(2830)199617(3)71019h611132030H45121416H213H3
MFCD10087349
ZINC000012276104
ZINC000012276112
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