Vitas-M small molecule compound
methyl 4-{(E)-[2-(3-methylpiperidin-1-yl)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}benzoate
Catalog ID
STK814459
SMILES COC(=O)c1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCCC(C1)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 C18H20N2O3S MW 344.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O3S/c1-12-4-3-9-20(11-12)18-19-16(21)15(24-18)10-13-5-7-14(8-6-13)17(22)23-2/h5-8,10,12H,3-4,9,11H2,1-2H3/b15-10+InChIKey
QUKGWTZQHGXNMD-XNTDXEJSSA-NSynonyms
CC1CCCN(C1)C2=NC(=O)C(=CC3=CC=C(C=C3)C(=O)OC)S2
COC(=O)c1ccc(cc1)C=C1SC(=NC1=O)N1CCCC(C1)C
InChI=1SC18H20N2O3Sc11243920(1112)181916(21)15(2418)10135714(8613)17(22)232h581012H34911H212H3b1510+
methyl4((E)(2(3methylpiperidin1yl)4oxo13thiazol5(4H)ylidene)methyl)benzoate
METHYL4((E)(2(3METHYLPIPERIDIN1YL)4OXO13THIAZOL5YLIDENE)METHYL)BENZOATE
MFCD03722700
ZINC000016267141
ZINC000016267145
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