Vitas-M small molecule compound
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-(furan-2-ylmethyl)-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK831602
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1Nc2ccccc2C(=O)N1Cc1ccco1
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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 C26H25N5O5 MW 487.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O5/c1-16-24(31(33)34)17(2)30(28-16)14-19-13-18(10-11-23(19)35-3)25-27-22-9-5-4-8-21(22)26(32)29(25)15-20-7-6-12-36-20/h4-13,25,27H,14-15H2,1-3H3InChIKey
NZFGHFZLGLOYQK-UHFFFAOYSA-NSynonyms
375354-93-12(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)3(furan2ylmethyl)23dihydroquinazolin4(1H)one
2(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)3(FURAN2YLMETHYL)12DIHYDROQUINAZOLIN4ONE
375354931
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C1Nc2ccccc2C(=O)N1Cc1ccco1
InChI=1SC26H25N5O5c11624(31(33)34)17(2)30(2816)14191318(101123(19)353)252722954821(22)26(32)29(25)152076123620h4132527H1415H213H3
MFCD02216865
ZINC000008432213
ZINC000008432214
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