Vitas-M small molecule compound
N-{[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl}-4-ethoxy-3-nitrobenzamide
Catalog ID
STK163731
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc1cccc(c1)c1nc2c(s1)cccc2
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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 C23H18N4O4S2 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S2/c1-2-31-19-11-10-14(13-18(19)27(29)30)21(28)26-23(32)24-16-7-5-6-15(12-16)22-25-17-8-3-4-9-20(17)33-22/h3-13H,2H2,1H3,(H2,24,26,28,32)InChIKey
YHIFSEPFEMBFMK-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)NC(=S)Nc1cccc(c1)c1nc2c(s1)cccc2
InChI=1SC23H18N4O4S2c123119111014(1318(19)27(29)30)21(28)2623(32)241675615(1216)222517834920(17)3322h313H2H21H3(H224262832)
MFCD02820638
N((3(13BENZOTHIAZOL2YL)PHENYL)CARBAMOTHIOYL)4ETHOXY3NITROBENZAMIDE
ZINC000002985936
ZINC02985936
ZINC2985936
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