Vitas-M small molecule compound
4,4'-{[5-(3-nitrophenyl)furan-2-yl]methanediyl}bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK508903
SMILES [O-][N+](=O)c1cccc(c1)c1ccc(o1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
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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 C33H29N5O5 MW 575.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N5O5/c1-21-29(32(39)36(34(21)3)24-13-7-5-8-14-24)31(28-19-18-27(43-28)23-12-11-17-26(20-23)38(41)42)30-22(2)35(4)37(33(30)40)25-15-9-6-10-16-25/h5-20,31H,1-4H3InChIKey
XVKHKIDQVBYPQW-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cccc(c1)c1ccc(o1)C(c1c(C)n(n(c1=O)c1ccccc1)C)c1c(C)n(n(c1=O)c1ccccc1)C
4((15dimethyl3oxo2phenylpyrazol4yl)(5(3nitrophenyl)furan2yl)methyl)15dimethyl2phenylpyrazol3one
44((5(3nitrophenyl)furan2yl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(O3)C4=CC(=CC=C4)(N+)(=O)(O))C5=C(N(N(C5=O)C6=CC=CC=C6)C)C
InChI=1SC33H29N5O5c12129(32(39)36(34(21)3)24137581424)31(28191827(4328)2312111726(2023)38(41)42)3022(2)35(4)37(33(30)40)251596101625h52031H14H3
MFCD00735802
ZINC000101018234
ZINC101018234
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