Vitas-M small molecule compound
(2Z)-5,6-dimethoxy-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-1H-inden-1-one
Catalog ID
STL313463
SMILES COc1cc2c(cc1OC)C/C(=C/c1cnn(c1)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 C16H16N2O3 MW 284.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O3/c1-18-9-10(8-17-18)4-12-5-11-6-14(20-2)15(21-3)7-13(11)16(12)19/h4,6-9H,5H2,1-3H3/b12-4-InChIKey
HKHIFHOHEDUHKB-QCDXTXTGSA-NSynonyms
1436015-54-1(2Z)56dimethoxy2((1methyl1Hpyrazol4yl)methylidene)23dihydro1Hinden1one
(2Z)56dimethoxy2((1methylpyrazol4yl)methylidene)3Hinden1one
(Z)56dimethoxy2((1methyl1Hpyrazol4yl)methylene)23dihydro1Hinden1one
1436015541
CN1C=C(C=N1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC
COc1cc2c(cc1OC)CC(=Cc1cnn(c1)C)C2=O
InChI=1SC16H16N2O3c118910(81718)412511614(202)15(213)713(11)16(12)19h469H5H213H3b124
MFCD23138241
ZINC000095475560
ZINC95475560
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