Vitas-M small molecule compound
7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Catalog ID
STL334803
SMILES Clc1ccc(cc1)C(=O)Oc1cc2sc(=O)oc2c(c1)c1cccc(c1)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 C21H13ClO4S MW 396.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClO4S/c1-12-3-2-4-14(9-12)17-10-16(11-18-19(17)26-21(24)27-18)25-20(23)13-5-7-15(22)8-6-13/h2-11H,1H3InChIKey
OECCRRRTGFICRG-UHFFFAOYSA-NSynonyms
327078-51-3(7(3METHYLPHENYL)2OXO13BENZOXATHIOL5YL)4CHLOROBENZOATE
2oxo7(mtolyl)benzo(d)(13)oxathiol5yl4chlorobenzoate
327078513
7(3methylphenyl)2oxo13benzoxathiol5yl4chlorobenzoate
CC1=CC=CC(=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC=C(C=C4)Cl
InChI=1SC21H13ClO4Sc11232414(912)171016(111819(17)2621(24)2718)2520(23)135715(22)8613h211H1H3
MFCD01918019
ZINC000002276580
ZINC02276580
ZINC2276580
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