Vitas-M small molecule compound

3-(4-chlorophenyl)-2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2,3-dihydroquinazolin-4(1H)-one

Catalog ID
STK111957
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1Nc2ccccc2C(=O)N1c1ccc(cc1)Cl

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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 C25H20ClN5O4 MW 489.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20ClN5O4/c1-35-23-11-6-16(12-17(23)14-29-15-20(13-27-29)31(33)34)24-28-22-5-3-2-4-21(22)25(32)30(24)19-9-7-18(26)8-10-19/h2-13,15,24,28H,14H2,1H3
InChIKey
ZNSBRMJPBHTYBL-UHFFFAOYSA-N
Synonyms

3(4CHLOROPHENYL)2(4METHOXY3((4NITRO1HPYRAZOL1YL)METHYL)PHENYL)23DIHYDROQUINAZOLIN4(1H)ONE
3(4CHLOROPHENYL)2(4METHOXY3((4NITROPYRAZOL1YL)METHYL)PHENYL)12DIHYDROQUINAZOLIN4ONE
COC1=C(C=C(C=C1)C2NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl)CN5C=C(C=N5)(N+)(=O)(O)
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1Nc2ccccc2C(=O)N1c1ccc(cc1)Cl
InChI=1SC25H20ClN5O4c1352311616(1217(23)14291520(132729)31(33)34)242822532421(22)25(32)30(24)199718(26)81019h213152428H14H21H3
MFCD03056752
ZINC000008683168
ZINC000008683169

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Available files

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