Vitas-M small molecule compound
4-methoxy-3-nitro-N-(4-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}phenyl)benzamide
Catalog ID
STK337636
SMILES COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)/C=C/c1ccccc1
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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 C27H26N4O5 MW 486.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O5/c1-36-25-13-8-21(19-24(25)31(34)35)27(33)28-22-9-11-23(12-10-22)29-15-17-30(18-16-29)26(32)14-7-20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,28,33)/b14-7+InChIKey
AFGFSXVCEMQRPD-VGOFMYFVSA-NSynonyms
4methoxy3nitroN(4(4((2E)3phenylprop2enoyl)piperazin1yl)phenyl)benzamide
4methoxy3nitroN(4(4((E)3phenylprop2enoyl)piperazin1yl)phenyl)benzamide
COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))C(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)C=Cc1ccccc1
InChI=1SC27H26N4O5c1362513821(1924(25)31(34)35)27(33)282291123(121022)29151730(181629)26(32)147205324620h21419H1518H21H3(H2833)b147+
MFCD07628811
ZINC000012843667
ZINC12843667
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