Vitas-M small molecule compound

(2E)-5,6-dimethoxy-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1H-inden-1-one

Catalog ID
STL311169
SMILES COc1cc2c(cc1OC)C/C(=C\c1c(C)nn(c1C)C)/C2=O

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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 C18H20N2O3 MW 312.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O3/c1-10-14(11(2)20(3)19-10)7-13-6-12-8-16(22-4)17(23-5)9-15(12)18(13)21/h7-9H,6H2,1-5H3/b13-7+
InChIKey
SNDSSIHMBATPCE-NTUHNPAUSA-N
Synonyms
1436015-71-2
(2E)56dimethoxy2((135trimethyl1Hpyrazol4yl)methylidene)23dihydro1Hinden1one
(2E)56dimethoxy2((135trimethylpyrazol4yl)methylidene)3Hinden1one
(E)56dimethoxy2((135trimethyl1Hpyrazol4yl)methylene)23dihydro1Hinden1one
1436015712
CC1=C(C(=NN1C)C)C=C2CC3=CC(=C(C=C3C2=O)OC)OC
COc1cc2c(cc1OC)CC(=Cc1c(C)nn(c1C)C)C2=O
InChI=1SC18H20N2O3c11014(11(2)20(3)1910)713612816(224)17(235)915(12)18(13)21h79H6H215H3b137+
MFCD23139406
ZINC000095473866
ZINC95473866

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Available files

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