Vitas-M small molecule compound
(2Z)-5,6-dimethoxy-2-[(1-methyl-1H-pyrazol-5-yl)methylidene]-2,3-dihydro-1H-inden-1-one
Catalog ID
STL313544
SMILES COc1cc2c(cc1OC)C/C(=C/c1ccnn1C)/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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c1-18-12(4-5-17-18)7-11-6-10-8-14(20-2)15(21-3)9-13(10)16(11)19/h4-5,7-9H,6H2,1-3H3/b11-7-InChIKey
XRHOUVXLYMEJIP-XFFZJAGNSA-NSynonyms
1436016-30-6(2Z)56dimethoxy2((1methyl1Hpyrazol5yl)methylidene)23dihydro1Hinden1one
(2Z)56dimethoxy2((2methylpyrazol3yl)methylidene)3Hinden1one
(Z)56dimethoxy2((1methyl1Hpyrazol5yl)methylene)23dihydro1Hinden1one
1436016306
CN1C(=CC=N1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC
COc1cc2c(cc1OC)CC(=Cc1ccnn1C)C2=O
InChI=1SC16H16N2O3c11812(451718)711610814(202)15(213)913(10)16(11)19h4579H6H213H3b117
MFCD23137511
ZINC000095475617
ZINC95475617
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