Vitas-M small molecule compound

7-methyl-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

Catalog ID
STK342815
SMILES Cc1cccc(c1)Oc1cc(NC(=O)c2cc3n(n2)c(C)cc(n3)c2ccccc2)cc(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 C27H21N5O4 MW 479.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N5O4/c1-17-7-6-10-22(11-17)36-23-14-20(13-21(15-23)32(34)35)28-27(33)25-16-26-29-24(12-18(2)31(26)30-25)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,28,33)
InChIKey
IBMMVURXKVBWSZ-UHFFFAOYSA-N
Synonyms
313246-85-4
(7METHYL5PHENYL(8HYDROPYRAZOLO(15A)PYRIMIDIN2YL))N(5(3METHYLPHENOXY)3NITROPHENYL)CARBOXAMIDE
313246854
7METHYLN(3(3METHYLPHENOXY)5NITROPHENYL)5PHENYLPYRAZOLO(15A)PYRIMIDINE2CARBOXAMIDE
7methylN(3nitro5(mtolyloxy)phenyl)5phenylpyrazolo(15a)pyrimidine2carboxamide
CC1=CC(=CC=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CC=C5)C
Cc1cccc(c1)Oc1cc(NC(=O)c2cc3n(n2)c(C)cc(n3)c2ccccc2)cc(c1)(N+)(=O)(O)
InChI=1SC27H21N5O4c117761022(1117)36231420(1321(1523)32(34)35)2827(33)2516262924(1218(2)31(26)3025)198435919h316H12H3(H2833)
MFCD01009932
N(3NITRO5((3METHYLPHENYL)OXY)PHENYL)7METHYL5PHENYLPYRAZOLO(15A)PYRIMIDINE2CARBOXAMIDE
ZINC000001013667
ZINC01013667
ZINC1013667

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.