Vitas-M small molecule compound

2-[(4-butyl-6-chloro-2-oxo-2H-chromen-7-yl)oxy]propanoic acid

Catalog ID
STK716457
SMILES CCCCc1cc(=O)oc2c1cc(Cl)c(c2)OC(C(=O)O)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 C16H17ClO5 MW 324.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17ClO5/c1-3-4-5-10-6-15(18)22-13-8-14(12(17)7-11(10)13)21-9(2)16(19)20/h6-9H,3-5H2,1-2H3,(H,19,20)
InChIKey
IXAQVAQOTRZLND-UHFFFAOYSA-N
Synonyms
690678-46-7
2((4butyl6chloro2oxo2Hchromen7yl)oxy)propanoicacid
2((4BUTYL6CHLORO2OXOCHROMEN7YL)OXY)PROPANOICACID
2(4BUTYL6CHLORO2OXOCHROMEN7YL)OXYPROPANOICACID
690678467
CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)O
InChI=1SC16H17ClO5c134510615(18)2213814(12(17)711(10)13)219(2)16(19)20h69H35H212H3(H1920)
MFCD03712665
ZINC000002381680
ZINC000002381682

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Available files

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