Vitas-M small molecule compound
N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-ethoxy-3-nitrobenzamide
Catalog ID
STK498335
SMILES CCCC(=O)Nc1sc2c(n1)ccc(c2)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OCC
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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 C20H20N4O5S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5S/c1-3-5-18(25)23-20-22-14-8-7-13(11-17(14)30-20)21-19(26)12-6-9-16(29-4-2)15(10-12)24(27)28/h6-11H,3-5H2,1-2H3,(H,21,26)(H,22,23,25)InChIKey
OFAFSQANHUSJDN-UHFFFAOYSA-NSynonyms
CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCC)(N+)(=O)(O)
CCCC(=O)Nc1sc2c(n1)ccc(c2)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC20H20N4O5Sc13518(25)232022148713(1117(14)3020)2119(26)126916(2942)15(1012)24(27)28h611H35H212H3(H2126)(H222325)
MFCD09590427
N(2(butanoylamino)13benzothiazol6yl)4ethoxy3nitrobenzamide
ZINC000017095789
ZINC17095789
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