Vitas-M small molecule compound
4,4'-[(5-chloro-2-hydroxy-3-methoxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK509012
SMILES COc1cc(Cl)cc(c1O)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 C30H29ClN4O4 MW 545.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29ClN4O4/c1-18-25(29(37)34(32(18)3)21-12-8-6-9-13-21)27(23-16-20(31)17-24(39-5)28(23)36)26-19(2)33(4)35(30(26)38)22-14-10-7-11-15-22/h6-17,27,36H,1-5H3InChIKey
BSHQGNNTYMIIEP-UHFFFAOYSA-NSynonyms
4((5chloro2hydroxy3methoxyphenyl)(15dimethyl3oxo2phenylpyrazol4yl)methyl)15dimethyl2phenylpyrazol3one
44((5chloro2hydroxy3methoxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC(=CC(=C3O)OC)Cl)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC30H29ClN4O4c11825(29(37)34(32(18)3)21128691321)27(231620(31)1724(395)28(23)36)2619(2)33(4)35(30(26)38)2214107111522h6172736H15H3
MFCD01177713
ZINC000098045817
ZINC98045817
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