Vitas-M small molecule compound

2-{[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK860166
SMILES O=C1N(Cc2nc3ccccc3c(=O)n2c2c(C)n(n(c2=O)c2ccccc2)C)C(=O)c2c1cccc2

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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 C28H21N5O4 MW 491.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O4/c1-17-24(28(37)33(30(17)2)18-10-4-3-5-11-18)32-23(29-22-15-9-8-14-21(22)27(32)36)16-31-25(34)19-12-6-7-13-20(19)26(31)35/h3-15H,16H2,1-2H3
InChIKey
XXAIBOBHRXTSJB-UHFFFAOYSA-N
Synonyms

2((3(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)4OXO34DIHYDRO2QUINAZOLINYL)METHYL)1HISOINDOLE13(2H)DIONE
2((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo34dihydroquinazolin2yl)methyl)1Hisoindole13(2H)dione
2((3(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)4oxo34dihydroquinazolin2yl)methyl)isoindoline13dione
2((3(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)4OXOQUINAZOLIN2YL)METHYL)ISOINDOLE13DIONE
4(3H)QUINAZOLINONE2PHTHALIMIDOYLMETHYL3(15DIMETHYL2PHENYLPYRAZOL3ONE4YL)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)CN5C(=O)C6=CC=CC=C6C5=O
InChI=1SC28H21N5O4c11724(28(37)33(30(17)2)18104351118)3223(292215981421(22)27(32)36)163125(34)1912671320(19)26(31)35h315H16H212H3
MFCD02214930
ZINC000006552501
ZINC06552501
ZINC6552501

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Available files

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