Vitas-M small molecule compound
4-ethoxy-3-nitro-N-{[3-(pentanoylamino)phenyl]carbamothioyl}benzamide
Catalog ID
STK234192
SMILES CCCCC(=O)Nc1cccc(c1)NC(=S)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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-3-5-9-19(26)22-15-7-6-8-16(13-15)23-21(31)24-20(27)14-10-11-18(30-4-2)17(12-14)25(28)29/h6-8,10-13H,3-5,9H2,1-2H3,(H,22,26)(H2,23,24,27,31)InChIKey
WOQZEFSMWDOSPG-UHFFFAOYSA-NSynonyms
4ethoxy3nitroN((3(pentanoylamino)phenyl)carbamothioyl)benzamide
CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)(N+)(=O)(O)
CCCCC(=O)Nc1cccc(c1)NC(=S)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OCC
InChI=1SC21H24N4O5Sc135919(26)221576816(1315)2321(31)2420(27)14101118(3042)17(1214)25(28)29h681013H359H212H3(H2226)(H223242731)
MFCD03568732
ZINC000009291179
ZINC09291179
ZINC9291179
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