Vitas-M small molecule compound
ethyl (2E)-2-[3-ethoxy-4-(naphthalen-1-ylmethoxy)benzylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK095964
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(c(c1)OCC)OCc1cccc3c1cccc3)/s2
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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 C36H32N2O5S MW 604.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N2O5S/c1-4-41-30-20-24(18-19-29(30)43-22-27-16-11-15-25-12-9-10-17-28(25)27)21-31-34(39)38-33(26-13-7-6-8-14-26)32(35(40)42-5-2)23(3)37-36(38)44-31/h6-21,33H,4-5,22H2,1-3H3/b31-21+InChIKey
NXJPIILBTUAGMK-NJZRLIGZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)OCC)OCc1cccc3c1cccc3)s2
CCOC1=C(C=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4)OCC5=CC=CC6=CC=CC=C65
ETHYL(2E)2((3ETHOXY4(NAPHTHALEN1YLMETHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2(3ETHOXY4(NAPHTHALEN1YLMETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H32N2O5Sc1441302024(181929(30)43222716111525129101728(25)27)213134(39)3833(26137681426)32(35(40)4252)23(3)3736(38)4431h62133H4522H213H3b3121+
MFCD08672808
STK095964
ZINC000097959410
ZINC000097959411
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.