Vitas-M small molecule compound
7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate
Catalog ID
STK882744
SMILES COc1ccc(cc1)c1cc(OC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)cc2c1oc(=O)s2
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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 C21H12ClNO7S MW 457.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12ClNO7S/c1-28-13-5-2-11(3-6-13)15-9-14(10-18-19(15)30-21(25)31-18)29-20(24)12-4-7-16(22)17(8-12)23(26)27/h2-10H,1H3InChIKey
CYJFRJFTNIQZRV-UHFFFAOYSA-NSynonyms
(7(4methoxyphenyl)2oxo13benzoxathiol5yl)4chloro3nitrobenzoate
7(4methoxyphenyl)2oxo13benzoxathiol5yl4chloro3nitrobenzoate
COC1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
COc1ccc(cc1)c1cc(OC(=O)c2ccc(c(c2)(N+)(=O)(O))Cl)cc2c1oc(=O)s2
InChI=1SC21H12ClNO7Sc128135211(3613)15914(101819(15)3021(25)3118)2920(24)124716(22)17(812)23(26)27h210H1H3
MFCD06646396
ZINC000016749847
ZINC16749847
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