Vitas-M small molecule compound
2,6-di-tert-butyl-4-[3-(4-nitrophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl]phenol
Catalog ID
STK999671
SMILES [O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)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 C29H33N3O3 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3/c1-28(2,3)23-16-20(17-24(27(23)33)29(4,5)6)26-18-25(19-12-14-22(15-13-19)32(34)35)30-31(26)21-10-8-7-9-11-21/h7-17,26,33H,18H2,1-6H3InChIKey
ICTUKKGOZNVDJA-UHFFFAOYSA-NSynonyms
609336-07-4(O)(N+)(=O)c1ccc(cc1)C1=NN(C(C1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)c1ccccc1
26ditertbutyl4(3(4nitrophenyl)1phenyl45dihydro1Hpyrazol5yl)phenol
26DITERTBUTYL4(5(4NITROPHENYL)2PHENYL34DIHYDROPYRAZOL3YL)PHENOL
609336074
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC29H33N3O3c128(23)231620(1724(27(23)33)29(45)6)261825(19121422(151319)32(34)35)3031(26)21108791121h7172633H18H216H3
MFCD03688475
ZINC000009329615
ZINC000009461621
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