Vitas-M small molecule compound
N-[(1Z)-3-(benzylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
Catalog ID
STK532726
SMILES CC(COc1ccc(cc1)C(=O)N/C(=C\c1cccc(c1)[N+](=O)[O-])/C(=O)NCc1ccccc1)C
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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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-19(2)18-35-24-13-11-22(12-14-24)26(31)29-25(16-21-9-6-10-23(15-21)30(33)34)27(32)28-17-20-7-4-3-5-8-20/h3-16,19H,17-18H2,1-2H3,(H,28,32)(H,29,31)/b25-16-InChIKey
WHBQBGUCHQZAIP-XYGWBWBKSA-NSynonyms
372153-45-2(Z)N(3(benzylamino)1(3nitrophenyl)3oxoprop1en2yl)4isobutoxybenzamide
372153452
CC(C)COC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)NCC3=CC=CC=C3
CC(COc1ccc(cc1)C(=O)NC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)NCc1ccccc1)C
InChI=1SC27H27N3O5c119(2)183524131122(121424)26(31)2925(1621961023(1521)30(33)34)27(32)2817207435820h31619H1718H212H3(H2832)(H2931)b2516
MFCD01878284
N((1Z)3(benzylamino)1(3nitrophenyl)3oxoprop1en2yl)4(2methylpropoxy)benzamide
N((Z)3(BENZYLAMINO)1(3NITROPHENYL)3OXOPROP1EN2YL)4(2METHYLPROPOXY)BENZAMIDE
ZINC000008743427
ZINC08743427
ZINC8743427
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