Vitas-M small molecule compound
2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3-hydroxy-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK301510
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1Nc2ccccc2C(=O)N1O
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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 C21H21N5O5 MW 423.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O5/c1-12-19(26(29)30)13(2)24(23-12)11-15-10-14(8-9-18(15)31-3)20-22-17-7-5-4-6-16(17)21(27)25(20)28/h4-10,20,22,28H,11H2,1-3H3InChIKey
GFYGVIBNZGKTOU-UHFFFAOYSA-NSynonyms
2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)3hydroxy23dihydroquinazolin4(1H)one
2(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)3HYDROXY12DIHYDROQUINAZOLIN4ONE
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3O)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C1Nc2ccccc2C(=O)N1O
InChI=1SC21H21N5O5c11219(26(29)30)13(2)24(2312)11151014(8918(15)313)202217754616(17)21(27)25(20)28h410202228H11H213H3
MFCD03465522
ZINC000000650551
ZINC000000650552
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