Vitas-M small molecule compound
N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-nitrobenzamide
Catalog ID
STK780020
SMILES COc1ccc(cc1)/C=C(/C(=O)NCCc1nc2c([nH]1)cccc2)\NC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C26H23N5O5 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5/c1-36-20-11-9-17(10-12-20)15-23(30-25(32)18-5-4-6-19(16-18)31(34)35)26(33)27-14-13-24-28-21-7-2-3-8-22(21)29-24/h2-12,15-16H,13-14H2,1H3,(H,27,33)(H,28,29)(H,30,32)/b23-15-InChIKey
HUALDWCQFHKACY-HAHDFKILSA-NSynonyms
COC1=CC=C(C=C1)C=C(C(=O)NCCC2=NC3=CC=CC=C3N2)NC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
COc1ccc(cc1)C=C(C(=O)NCCc1nc2c((nH)1)cccc2)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC26H23N5O5c1362011917(101220)1523(3025(32)1854619(1618)31(34)35)26(33)271413242821723822(21)2924h2121516H1314H21H3(H2733)(H2829)(H3032)b2315
MFCD05859626
N((1Z)3((2(1Hbenzimidazol2yl)ethyl)amino)1(4methoxyphenyl)3oxoprop1en2yl)3nitrobenzamide
N((Z)3(2(1HBENZIMIDAZOL2YL)ETHYLAMINO)1(4METHOXYPHENYL)3OXOPROP1EN2YL)3NITROBENZAMIDE
ZINC000012420222
ZINC12420222
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