Vitas-M small molecule compound
methyl (2Z)-[4-(4-chlorophenyl)-3-oxo-5-(piperidin-1-yl)thiophen-2(3H)-ylidene]ethanoate
Catalog ID
STL447240
SMILES COC(=O)/C=C/1\SC(=C(C1=O)c1ccc(cc1)Cl)N1CCCCC1
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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 C18H18ClNO3S MW 363.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClNO3S/c1-23-15(21)11-14-17(22)16(12-5-7-13(19)8-6-12)18(24-14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3/b14-11-InChIKey
OCHAAUXCMUGEOG-KAMYIIQDSA-NSynonyms
COC(=O)C=C1C(=O)C(=C(S1)N2CCCCC2)C3=CC=C(C=C3)Cl
COC(=O)C=C1SC(=C(C1=O)c1ccc(cc1)Cl)N1CCCCC1
InChI=1SC18H18ClNO3Sc12315(21)111417(22)16(125713(19)8612)18(2414)2093241020h5811H24910H21H3b1411
methyl(2Z)(4(4chlorophenyl)3oxo5(piperidin1yl)thiophen2(3H)ylidene)ethanoate
METHYL(2Z)2(4(4CHLOROPHENYL)3OXO5PIPERIDIN1YLTHIOPHEN2YLIDENE)ACETATE
MFCD06239702
ZINC000013517505
ZINC13517505
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