Vitas-M small molecule compound

3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl thiophene-2-carboxylate

Catalog ID
STK843148
SMILES O=C(c1cccs1)Oc1ccc2c(c1)occ(c2=O)Oc1cc(C)c(c(c1)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 C22H15ClO5S MW 426.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15ClO5S/c1-12-8-15(9-13(2)20(12)23)27-18-11-26-17-10-14(5-6-16(17)21(18)24)28-22(25)19-4-3-7-29-19/h3-11H,1-2H3
InChIKey
BFZDWPZROKQAQD-UHFFFAOYSA-N
Synonyms
442563-86-2
(3(4chloro35dimethylphenoxy)4oxochromen7yl)thiophene2carboxylate
3(4chloro35dimethylphenoxy)4oxo4Hchromen7ylthiophene2carboxylate
3(4CHLORO35DIMETHYLPHENOXY)4OXOCHROMEN7YLTHIOPHENE2CARBOXYLATE
442563862
CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4
InChI=1SC22H15ClO5Sc112815(913(2)20(12)23)27181126171014(5616(17)21(18)24)2822(25)194372919h311H12H3
MFCD02957610
ZINC000000950737
ZINC00950737
ZINC950737

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Available files

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