Vitas-M small molecule compound

methyl 2-{[5-(5-chloropentanoyl)thiophen-2-yl]methyl}benzoate

Catalog ID
STK270356
SMILES ClCCCCC(=O)c1ccc(s1)Cc1ccccc1C(=O)OC

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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 C18H19ClO3S MW 350.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClO3S/c1-22-18(21)15-7-3-2-6-13(15)12-14-9-10-17(23-14)16(20)8-4-5-11-19/h2-3,6-7,9-10H,4-5,8,11-12H2,1H3
InChIKey
XDCPQVFQBCACFL-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1CC2=CC=C(S2)C(=O)CCCCCl
InChI=1SC18H19ClO3Sc12218(21)15732613(15)121491017(2314)16(20)8451119h2367910H4581112H21H3
methyl2((5(5chloropentanoyl)thiophen2yl)methyl)benzoate
MFCD09164133
ZINC000009583721
ZINC09583721
ZINC9583721

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.