Vitas-M small molecule compound
2-methoxy-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-5-nitrobenzamide
Catalog ID
STL071431
SMILES COc1ccc(cc1C(=O)Nc1cc(ccc1N1CCCCC1)c1nnc(c2c1cccc2)OC)[N+](=O)[O-]
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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 C28H27N5O5 MW 513.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O5/c1-37-25-13-11-19(33(35)36)17-22(25)27(34)29-23-16-18(10-12-24(23)32-14-6-3-7-15-32)26-20-8-4-5-9-21(20)28(38-2)31-30-26/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,29,34)InChIKey
SDTVHTICYWYDCB-UHFFFAOYSA-NSynonyms
714921-78-52methoxyN(5(4methoxyphthalazin1yl)2(piperidin1yl)phenyl)5nitrobenzamide
2METHOXYN(5(4METHOXYPHTHALAZIN1YL)2PIPERIDIN1YLPHENYL)5NITROBENZAMIDE
714921785
COC1=C(C=C(C=C1)(N+)(=O)(O))C(=O)NC2=C(C=CC(=C2)C3=NN=C(C4=CC=CC=C43)OC)N5CCCCC5
COc1ccc(cc1C(=O)Nc1cc(ccc1N1CCCCC1)c1nnc(c2c1cccc2)OC)(N+)(=O)(O)
InChI=1SC28H27N5O5c13725131119(33(35)36)1722(25)27(34)29231618(101224(23)32146371532)2620845921(20)28(382)313026h458131617H3671415H212H3(H2934)
MFCD04161394
ZINC000009193202
ZINC09193202
ZINC9193202
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