Vitas-M small molecule compound
N'-[(E)-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene]-3-[2-(pyridin-3-yl)piperidin-1-yl]propanehydrazide
Catalog ID
STK569308
SMILES COc1ccc(cc1Cn1nc(c(c1C)Br)C)/C=N/NC(=O)CCN1CCCCC1c1cccnc1
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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 C27H33BrN6O2 MW 553.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33BrN6O2/c1-19-27(28)20(2)34(32-19)18-23-15-21(9-10-25(23)36-3)16-30-31-26(35)11-14-33-13-5-4-8-24(33)22-7-6-12-29-17-22/h6-7,9-10,12,15-17,24H,4-5,8,11,13-14,18H2,1-3H3,(H,31,35)/b30-16+InChIKey
BNKPNGGIEQQDEK-OKCVXOCRSA-NSynonyms
(E)N(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxybenzylidene)3(2(pyridin3yl)piperidin1yl)propanehydrazide
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)CCN3CCCCC3C4=CN=CC=C4)OC)C)Br
COc1ccc(cc1Cn1nc(c(c1C)Br)C)C=NNC(=O)CCN1CCCCC1c1cccnc1
InChI=1SC27H33BrN6O2c11927(28)20(2)34(3219)18231521(91025(23)363)16303126(35)1114331354824(33)227612291722h6791012151724H45811131418H213H3(H3135)b3016+
MFCD01857963
N((E)(3((4bromo35dimethyl1Hpyrazol1yl)methyl)4methoxyphenyl)methylidene)3(2(pyridin3yl)piperidin1yl)propanehydrazide
N((E)(3((4bromo35dimethylpyrazol1yl)methyl)4methoxyphenyl)methylideneamino)3(2pyridin3ylpiperidin1yl)propanamide
ZINC000097967570
ZINC000097967571
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