Vitas-M small molecule compound
ethyl 7-amino-4-ethoxy-5-phenyl-2-(prop-2-en-1-ylsulfanyl)-5H-pyrano[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STL109892
SMILES C=CCSc1nc(OCC)c2c(n1)OC(=C(C2c1ccccc1)C(=O)OCC)N
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-4-12-29-21-23-18(26-5-2)16-14(13-10-8-7-9-11-13)15(20(25)27-6-3)17(22)28-19(16)24-21/h4,7-11,14H,1,5-6,12,22H2,2-3H3InChIKey
GFBCPFHQPOIRMA-UHFFFAOYSA-NSynonyms
CCOC1=NC(=NC2=C1C(C(=C(O2)N)C(=O)OCC)C3=CC=CC=C3)SCC=C
ethyl7amino4ethoxy5phenyl2(prop2en1ylsulfanyl)5Hpyrano(23d)pyrimidine6carboxylate
ethyl7amino4ethoxy5phenyl2prop2enylsulfanyl5Hpyrano(23d)pyrimidine6carboxylate
InChI=1SC21H23N3O4Sc141229212318(2652)1614(13108791113)15(20(25)2763)17(22)2819(16)2421h471114H1561222H223H3
MFCD20737317
ZINC000067257842
ZINC000067257844
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