Vitas-M small molecule compound

methyl [6-chloro-4-methyl-2-oxo-7-(propan-2-yloxy)-2H-chromen-3-yl]acetate

Catalog ID
STL460086
SMILES COC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)OC(C)C)Cl

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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/c1-8(2)21-14-7-13-10(5-12(14)17)9(3)11(16(19)22-13)6-15(18)20-4/h5,7-8H,6H2,1-4H3
InChIKey
ZTWBMENIHZTVNF-UHFFFAOYSA-N
Synonyms
701946-75-0
701946750
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(C)C)CC(=O)OC
InChI=1SC16H17ClO5c18(2)211471310(512(14)17)9(3)11(16(19)2213)615(18)204h578H6H214H3
methyl(6chloro4methyl2oxo7(propan2yloxy)2Hchromen3yl)acetate
METHYL2(6CHLORO4METHYL2OXO7PROPAN2YLOXYCHROMEN3YL)ACETATE
methyl2(6chloro7isopropoxy4methyl2oxo2Hchromen3yl)acetate
MFCD03853184
ZINC000000489476
ZINC00489476
ZINC489476

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Available files

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