Vitas-M small molecule compound

3-(4-chlorophenyl)-2-methyl-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate

Catalog ID
STK888903
SMILES Clc1ccc(cc1)c1c(C)oc2c(c1=O)ccc(c2)OC(=O)C(C)(C)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 C21H19ClO4 MW 370.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClO4/c1-12-18(13-5-7-14(22)8-6-13)19(23)16-10-9-15(11-17(16)25-12)26-20(24)21(2,3)4/h5-11H,1-4H3
InChIKey
SLDMZBSGEZGURC-UHFFFAOYSA-N
Synonyms

(3(4CHLOROPHENYL)2METHYL4OXOCHROMEN7YL)22DIMETHYLPROPANOATE
3(4chlorophenyl)2methyl4oxo4Hchromen7yl22dimethylpropanoate
3(4CHLOROPHENYL)2METHYL4OXOCHROMEN7YL22DIMETHYLPROPANOATE
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C)(C)C)C3=CC=C(C=C3)Cl
InChI=1SC21H19ClO4c11218(135714(22)8613)19(23)1610915(1117(16)2512)2620(24)21(23)4h511H14H3
MFCD04158589
ZINC000001447971
ZINC01447971
ZINC1447971

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Available files

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