Vitas-M small molecule compound
N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propyl}-3-methyl-4-nitrobenzamide
Catalog ID
STL287651
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[O-])NCCCNC1=NS(=O)(=O)c2c1cccc2
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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 C18H18N4O5S MW 402.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S/c1-12-11-13(7-8-15(12)22(24)25)18(23)20-10-4-9-19-17-14-5-2-3-6-16(14)28(26,27)21-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,21)(H,20,23)InChIKey
AHTNHILGZALVLP-UHFFFAOYSA-NSynonyms
CC1=C(C=CC(=C1)C(=O)NCCCNC2=NS(=O)(=O)C3=CC=CC=C32)(N+)(=O)(O)
InChI=1SC18H18N4O5Sc1121113(7815(12)22(24)25)18(23)201049191714523616(14)28(2627)2117h235811H4910H21H3(H1921)(H2023)
MFCD02111481
N(3((11dioxido12benzothiazol3yl)amino)propyl)3methyl4nitrobenzamide
N(3((11DIOXO12BENZOTHIAZOL3YL)AMINO)PROPYL)3METHYL4NITROBENZAMIDE
O=C(c1ccc(c(c1)C)(N+)(=O)(O))NCCCNC1=NS(=O)(=O)c2c1cccc2
ZINC000003583341
ZINC3583341
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