Vitas-M small molecule compound

N-[1-(4-methylphenyl)propyl]-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Catalog ID
STL181277
SMILES CCC(c1ccc(cc1)C)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)[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 C22H20N6O3 MW 416.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N6O3/c1-3-18(15-9-7-14(2)8-10-15)25-21(29)20-12-19(26-22-23-13-24-27(20)22)16-5-4-6-17(11-16)28(30)31/h4-13,18H,3H2,1-2H3,(H,25,29)
InChIKey
VJHLQTCDPVMYEN-UHFFFAOYSA-N
Synonyms
1174833-74-9
1174833749
CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC(=NC3=NC=NN23)C4=CC(=CC=C4)(N+)(=O)(O)
CCC(c1ccc(cc1)C)NC(=O)c1cc(nc2n1ncn2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20N6O3c1318(159714(2)81015)2521(29)201219(262223132427(20)22)1654617(1116)28(30)31h41318H3H212H3(H2529)
MFCD10701871
N(1(4methylphenyl)propyl)5(3nitrophenyl)(124)triazolo(15a)pyrimidine7carboxamide
ZINC000036619422
ZINC000036619423

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Available files

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