Vitas-M small molecule compound
N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Catalog ID
STK780027
SMILES O=C(/C(=C/c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccccc1Cl)NCCc1nc2c([nH]1)cccc2
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H20ClN5O4 MW 489.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4/c26-19-9-2-1-8-18(19)24(32)30-22(15-16-6-5-7-17(14-16)31(34)35)25(33)27-13-12-23-28-20-10-3-4-11-21(20)29-23/h1-11,14-15H,12-13H2,(H,27,33)(H,28,29)(H,30,32)/b22-15-InChIKey
RQYVYGSCGMOXRP-JCMHNJIXSA-NSynonyms
C1=CC=C(C(=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)NCCC3=NC4=CC=CC=C4N3)Cl
InChI=1SC25H20ClN5O4c2619921818(19)24(32)3022(151665717(1416)31(34)35)25(33)27131223282010341121(20)2923h1111415H1213H2(H2733)(H2829)(H3032)b2215
MFCD05859631
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)1(3nitrophenyl)3oxoprop1en2yl)2chlorobenzamide
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(3NITROPHENYL)3OXOPROP1EN2YL)2CHLOROBENZAMIDE
O=C(C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccccc1Cl)NCCc1nc2c((nH)1)cccc2
ZINC000012375329
ZINC12375329
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