Vitas-M small molecule compound
phenyl 2-[(6-nitro-1,1-dioxido-1,2-benzothiazol-3-yl)oxy]benzoate
Catalog ID
STL287089
SMILES O=C(c1ccccc1OC1=NS(=O)(=O)c2c1ccc(c2)[N+](=O)[O-])Oc1ccccc1
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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 C20H12N2O7S MW 424.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12N2O7S/c23-20(28-14-6-2-1-3-7-14)15-8-4-5-9-17(15)29-19-16-11-10-13(22(24)25)12-18(16)30(26,27)21-19/h1-12HInChIKey
LUVOPIICRUWWBW-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC3=NS(=O)(=O)C4=C3C=CC(=C4)(N+)(=O)(O)
InChI=1SC20H12N2O7Sc2320(28146213714)15845917(15)291916111013(22(24)25)1218(16)30(2627)2119h112H
MFCD00774219
O=C(c1ccccc1OC1=NS(=O)(=O)c2c1ccc(c2)(N+)(=O)(O))Oc1ccccc1
phenyl2((6nitro11dioxido12benzothiazol3yl)oxy)benzoate
phenyl2((6nitro11dioxo12benzothiazol3yl)oxy)benzoate
ZINC000095481783
ZINC95481783
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