Vitas-M small molecule compound
2-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]ethyl 3-methyl-4-nitrobenzoate
Catalog ID
STL287678
SMILES CN(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c1-12-11-13(7-8-15(12)21(23)24)18(22)27-10-9-20(2)17-14-5-3-4-6-16(14)28(25,26)19-17/h3-8,11H,9-10H2,1-2H3InChIKey
WWQRFRUZZGEYSG-UHFFFAOYSA-NSynonyms
2((11dioxido12benzothiazol3yl)(methyl)amino)ethyl3methyl4nitrobenzoate
2((11dioxo12benzothiazol3yl)methylamino)ethyl3methyl4nitrobenzoate
CC1=C(C=CC(=C1)C(=O)OCCN(C)C2=NS(=O)(=O)C3=CC=CC=C32)(N+)(=O)(O)
CN(C1=NS(=O)(=O)c2c1cccc2)CCOC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC18H17N3O6Sc1121113(7815(12)21(23)24)18(22)2710920(2)1714534616(14)28(2526)1917h3811H910H212H3
MFCD24847769
ZINC000095481974
ZINC95481974
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