Vitas-M small molecule compound
(4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethylidene)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295043
SMILES CC1=NN(C(=O)/C/1=C/N1CCNCC1)c1ccc(c(c1)C)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 C17H22N4O MW 298.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O/c1-12-4-5-15(10-13(12)2)21-17(22)16(14(3)19-21)11-20-8-6-18-7-9-20/h4-5,10-11,18H,6-9H2,1-3H3/b16-11+InChIKey
MIRYHJOAAZCRJL-LFIBNONCSA-NSynonyms
(4E)2(34dimethylphenyl)5methyl4(piperazin1ylmethylidene)24dihydro3Hpyrazol3one
(4E)2(34dimethylphenyl)5methyl4(piperazin1ylmethylidene)pyrazol3one
CC1=C(C=C(C=C1)N2C(=O)C(=CN3CCNCC3)C(=N2)C)C
CC1=NN(C(=O)C1=CN1CCNCC1)c1ccc(c(c1)C)C
InChI=1SC17H22N4Oc1124515(1013(12)2)2117(22)16(14(3)1921)112086187920h45101118H69H213H3b1611+
MFCD28032864
ZINC000095470901
ZINC95470901
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