Vitas-M small molecule compound
3-benzyl-2-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3-dihydroquinazolin-4(1H)-one
Catalog ID
STK831662
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)C1Nc2ccccc2C(=O)N1Cc1ccccc1
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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 C28H27N5O4 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O4/c1-18-26(33(35)36)19(2)32(30-18)17-22-15-21(13-14-25(22)37-3)27-29-24-12-8-7-11-23(24)28(34)31(27)16-20-9-5-4-6-10-20/h4-15,27,29H,16-17H2,1-3H3InChIKey
ANHYGFLSCZWECK-UHFFFAOYSA-NSynonyms
(2R)3BENZYL2(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)23DIHYDROQUINAZOLIN4(1H)ONE
3benzyl2(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)23dihydroquinazolin4(1H)one
3BENZYL2(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)12DIHYDROQUINAZOLIN4ONE
CC1=C(C(=NN1CC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C1Nc2ccccc2C(=O)N1Cc1ccccc1
InChI=1SC28H27N5O4c11826(33(35)36)19(2)32(3018)17221521(131425(22)373)27292412871123(24)28(34)31(27)162095461020h4152729H1617H213H3
MFCD02216604
ZINC000001190795
ZINC000002953987
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