Vitas-M small molecule compound

4-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl (4-chlorophenoxy)acetate

Catalog ID
STK701820
SMILES Clc1ccc(cc1)OCC(=O)Oc1ccc2c(c1c1ccc(cc1)Cl)sc(=O)o2

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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 C21H12Cl2O5S MW 447.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12Cl2O5S/c22-13-3-1-12(2-4-13)19-16(9-10-17-20(19)29-21(25)28-17)27-18(24)11-26-15-7-5-14(23)6-8-15/h1-10H,11H2
InChIKey
FIRDZTOKWMVFMF-UHFFFAOYSA-N
Synonyms

(4(4CHLOROPHENYL)2OXO13BENZOXATHIOL5YL)2(4CHLOROPHENOXY)ACETATE
4(4chlorophenyl)2oxo13benzoxathiol5yl(4chlorophenoxy)acetate
C1=CC(=CC=C1C2=C(C=CC3=C2SC(=O)O3)OC(=O)COC4=CC=C(C=C4)Cl)Cl
InChI=1SC21H12Cl2O5Sc22133112(2413)1916(9101720(19)2921(25)2817)2718(24)1126157514(23)6815h110H11H2
MFCD03461631
ZINC000002696635
ZINC02696635
ZINC2696635

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Available files

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