Vitas-M small molecule compound
4-[3-(benzyloxy)phenyl]-7,7-dimethyl-2-phenyl-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Catalog ID
STK332659
SMILES O=C1CC(C)(C)CC2=C1C(c1cccc(c1)OCc1ccccc1)c1c(N2)[nH]n(c1=O)c1ccccc1
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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 C31H29N3O3 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O3/c1-31(2)17-24-27(25(35)18-31)26(21-12-9-15-23(16-21)37-19-20-10-5-3-6-11-20)28-29(32-24)33-34(30(28)36)22-13-7-4-8-14-22/h3-16,26,32-33H,17-19H2,1-2H3InChIKey
IALMVNRRIQYVKZ-UHFFFAOYSA-NSynonyms
4(3(benzyloxy)phenyl)77dimethyl2phenyl4789tetrahydro1Hpyrazolo(34b)quinoline35(2H6H)dione
77dimethyl2phenyl4(3phenylmethoxyphenyl)4689tetrahydro1Hpyrazolo(34b)quinoline35dione
CC1(CC2=C(C(C3=C(N2)NN(C3=O)C4=CC=CC=C4)C5=CC(=CC=C5)OCC6=CC=CC=C6)C(=O)C1)C
InChI=1SC31H29N3O3c131(2)172427(25(35)1831)26(211291523(1621)371920105361120)2829(3224)3334(30(28)36)22137481422h316263233H1719H212H3
MFCD09962813
O=C1CC(C)(C)CC2=C1C(c1cccc(c1)OCc1ccccc1)c1c(N2)(nH)n(c1=O)c1ccccc1
ZINC000012346893
ZINC000012346902
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