Vitas-M small molecule compound

{1-[(4-chloro-3,5-dimethylphenoxy)methyl]-1H-pyrazol-3-yl}[4-(2-methylbenzyl)piperazin-1-yl]methanone

Catalog ID
STK308654
SMILES O=C(c1ccn(n1)COc1cc(C)c(c(c1)C)Cl)N1CCN(CC1)Cc1ccccc1C

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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 C25H29ClN4O2 MW 452.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN4O2/c1-18-6-4-5-7-21(18)16-28-10-12-29(13-11-28)25(31)23-8-9-30(27-23)17-32-22-14-19(2)24(26)20(3)15-22/h4-9,14-15H,10-13,16-17H2,1-3H3
InChIKey
COXRDDBTFQBEDB-UHFFFAOYSA-N
Synonyms
1005602-97-0
(1((4chloro35dimethylphenoxy)methyl)1Hpyrazol3yl)(4(2methylbenzyl)piperazin1yl)methanone
(1((4CHLORO35DIMETHYLPHENOXY)METHYL)PYRAZOL3YL)(4((2METHYLPHENYL)METHYL)PIPERAZIN1YL)METHANONE
1005602970
CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=NN(C=C3)COC4=CC(=C(C(=C4)C)Cl)C
InChI=1SC25H29ClN4O2c118645721(18)1628101229(131128)25(31)238930(2723)1732221419(2)24(26)20(3)1522h491415H10131617H213H3
MFCD04051291
ZINC000020028679
ZINC20028679

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Available files

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