Vitas-M small molecule compound
(2E)-5-amino-2-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]benzylidene}-7-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Catalog ID
STL303064
SMILES COc1cc(ccc1OCC(=O)N1CCOCC1)/C=c\1/sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(c(c1)OC)OCC(=O)N1CCOCC1
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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 C36H36N6O9S MW 728.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N6O9S/c1-46-28-15-22(3-5-26(28)50-20-31(43)40-7-11-48-12-8-40)16-30-35(45)42-34(39)24(18-37)33(25(19-38)36(42)52-30)23-4-6-27(29(17-23)47-2)51-21-32(44)41-9-13-49-14-10-41/h3-6,15-17,33H,7-14,20-21,39H2,1-2H3/b30-16+InChIKey
USUOKNMCONWVSQ-OKCVXOCRSA-NSynonyms
(2E)5amino2(3methoxy4(2(morpholin4yl)2oxoethoxy)benzylidene)7(3methoxy4(2(morpholin4yl)2oxoethoxy)phenyl)3oxo23dihydro7H(13)thiazolo(32a)pyridine68dicarbonitrile
(2E)5AMINO7(3METHOXY4(2MORPHOLIN4YL2OXOETHOXY)PHENYL)2((3METHOXY4(2MORPHOLIN4YL2OXOETHOXY)PHENYL)METHYLIDENE)3OXO7H(13)THIAZOLO(32A)PYRIDINE68DICARBONITRILE
COC1=C(C=CC(=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C#N)C4=CC(=C(C=C4)OCC(=O)N5CCOCC5)OC)C#N)N)OCC(=O)N6CCOCC6
COc1cc(ccc1OCC(=O)N1CCOCC1)C=c1sc2=C(C#N)C(C(=C(n2c1=O)N)C#N)c1ccc(c(c1)OC)OCC(=O)N1CCOCC1
InChI=1SC36H36N6O9Sc146281522(3526(28)502031(43)407114812840)163035(45)4234(39)24(1837)33(25(1938)36(42)5230)234627(29(1723)472)512132(44)4191349141041h36151733H714202139H212H3b3016+
MFCD06124481
ZINC000150625762
ZINC000150625765
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