Vitas-M small molecule compound
1-benzyl-3-methyl-4-[4-(propan-2-yl)phenyl]-4,6,7,8-tetrahydrochromeno[2,3-c]pyrazol-5(1H)-one
Catalog ID
STK334100
SMILES O=C1CCCC2=C1C(c1ccc(cc1)C(C)C)c1c(O2)n(nc1C)Cc1ccccc1
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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 C27H28N2O2 MW 412.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2/c1-17(2)20-12-14-21(15-13-20)25-24-18(3)28-29(16-19-8-5-4-6-9-19)27(24)31-23-11-7-10-22(30)26(23)25/h4-6,8-9,12-15,17,25H,7,10-11,16H2,1-3H3InChIKey
LCWPFPCMXXLTCS-UHFFFAOYSA-NSynonyms
1benzyl3methyl4(4(propan2yl)phenyl)4678tetrahydrochromeno(23c)pyrazol5(1H)one
1benzyl3methyl4(4propan2ylphenyl)4678tetrahydrochromeno(23c)pyrazol5one
CC1=NN(C2=C1C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)C(C)C)CC5=CC=CC=C5
InChI=1SC27H28N2O2c117(2)20121421(151320)252418(3)2829(16198546919)27(24)31231171022(30)26(23)25h468912151725H7101116H213H3
MFCD09963449
ZINC000018196908
ZINC000018196910
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