Vitas-M small molecule compound

ethyl 1-{(1E)-1-[1-(1H-benzimidazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperidine-4-carboxylate

Catalog ID
STK741818
SMILES CCOC(=O)C1CCN(CC1)/C(=C/1\C(=NN(C1=O)c1nc2c([nH]1)cccc2)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 C21H25N5O3 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3/c1-4-29-20(28)15-9-11-25(12-10-15)14(3)18-13(2)24-26(19(18)27)21-22-16-7-5-6-8-17(16)23-21/h5-8,15H,4,9-12H2,1-3H3,(H,22,23)/b18-14+
InChIKey
FKEYFLHBZSMDPZ-NBVRZTHBSA-N
Synonyms

(Z)ethyl1(1(1(1Hbenzo(d)imidazol2yl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)piperidine4carboxylate
CCOC(=O)C1CCN(CC1)C(=C1C(=NN(C1=O)c1nc2c((nH)1)cccc2)C)C
CCOC(=O)C1CCN(CC1)C(=C2C(=NN(C2=O)C3=NC4=CC=CC=C4N3)C)C
ethyl1((1E)1(1(1Hbenzimidazol2yl)3methyl5oxo15dihydro4Hpyrazol4ylidene)ethyl)piperidine4carboxylate
ETHYL1((1E)1(1(1HBENZIMIDAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)ETHYL)PIPERIDINE4CARBOXYLATE
InChI=1SC21H25N5O3c142920(28)1591125(121015)14(3)1813(2)2426(19(18)27)212216756817(16)2321h5815H4912H213H3(H2223)b1814+
MFCD04222007
ZINC000001425558
ZINC01425558
ZINC1425558

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Available files

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