Vitas-M small molecule compound
7-(4-chlorophenyl)-2-oxo-1,3-benzoxathiol-5-yl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STK882569
SMILES O=C(C1COc2c(O1)cccc2)Oc1cc2sc(=O)oc2c(c1)c1ccc(cc1)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 C22H13ClO6S MW 440.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13ClO6S/c23-13-7-5-12(6-8-13)15-9-14(10-19-20(15)29-22(25)30-19)27-21(24)18-11-26-16-3-1-2-4-17(16)28-18/h1-10,18H,11H2InChIKey
VNSGTZVWZFFQAK-UHFFFAOYSA-NSynonyms
(7(4chlorophenyl)2oxo13benzoxathiol5yl)23dihydro14benzodioxine3carboxylate
7(4chlorophenyl)2oxo13benzoxathiol5yl23dihydro14benzodioxine2carboxylate
C1C(OC2=CC=CC=C2O1)C(=O)OC3=CC4=C(C(=C3)C5=CC=C(C=C5)Cl)OC(=O)S4
InChI=1SC22H13ClO6Sc23137512(6813)15914(101920(15)2922(25)3019)2721(24)18112616312417(16)2818h11018H11H2
MFCD06646276
ZINC000009430763
ZINC000009430765
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