Vitas-M small molecule compound
2-oxo-7-phenyl-1,3-benzoxathiol-5-yl 4-chloro-3-nitrobenzoate
Catalog ID
STK883405
SMILES O=c1oc2c(s1)cc(cc2c1ccccc1)OC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C20H10ClNO6S MW 427.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H10ClNO6S/c21-15-7-6-12(8-16(15)22(25)26)19(23)27-13-9-14(11-4-2-1-3-5-11)18-17(10-13)29-20(24)28-18/h1-10HInChIKey
HPDBNWIINHKSQG-UHFFFAOYSA-NSynonyms
(2oxo7phenyl13benzoxathiol5yl)4chloro3nitrobenzoate
2oxo7phenyl13benzoxathiol5yl4chloro3nitrobenzoate
C1=CC=C(C=C1)C2=CC(=CC3=C2OC(=O)S3)OC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
InChI=1SC20H10ClNO6Sc21157612(816(15)22(25)26)19(23)2713914(114213511)1817(1013)2920(24)2818h110H
MFCD06646874
O=c1oc2c(s1)cc(cc2c1ccccc1)OC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000016750797
ZINC16750797
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