Vitas-M small molecule compound
4,4'-[(2-chloro-3-hydroxyphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
Catalog ID
STK509180
SMILES Oc1cccc(c1Cl)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 C29H27ClN4O3 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27ClN4O3/c1-18-24(28(36)33(31(18)3)20-12-7-5-8-13-20)26(22-16-11-17-23(35)27(22)30)25-19(2)32(4)34(29(25)37)21-14-9-6-10-15-21/h5-17,26,35H,1-4H3InChIKey
DWWSOPDAMNCIAX-UHFFFAOYSA-NSynonyms
4((2chloro3hydroxyphenyl)(15dimethyl3oxo2phenylpyrazol4yl)methyl)15dimethyl2phenylpyrazol3one
44((2chloro3hydroxyphenyl)methanediyl)bis(15dimethyl2phenyl12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=C(C(=CC=C3)O)Cl)C4=C(N(N(C4=O)C5=CC=CC=C5)C)C
InChI=1SC29H27ClN4O3c11824(28(36)33(31(18)3)20127581320)26(2216111723(35)27(22)30)2519(2)32(4)34(29(25)37)211496101521h5172635H14H3
MFCD04230527
ZINC000015015772
ZINC15015772
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