Vitas-M small molecule compound

{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}[4-(4-methoxyphenyl)piperazin-1-yl]methanone

Catalog ID
STK302589
SMILES COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])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 C22H25N5O5 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O5/c1-15-21(27(29)30)16(2)26(23-15)14-19-8-9-20(32-19)22(28)25-12-10-24(11-13-25)17-4-6-18(31-3)7-5-17/h4-9H,10-14H2,1-3H3
InChIKey
HWRKCZOKFSRPAV-UHFFFAOYSA-N
Synonyms
957512-08-2
(5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)(4(4methoxyphenyl)piperazin1yl)methanone
(5((35DIMETHYL4NITROPYRAZOL1YL)METHYL)FURAN2YL)(4(4METHOXYPHENYL)PIPERAZIN1YL)METHANONE
1(5((4NITRO35DIMETHYL1HPYRAZOL1YL)METHYL)2FUROYL)4(4METHOXYPHENYL)PIPERAZINE
957512082
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C)(N+)(=O)(O)
COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC22H25N5O5c11521(27(29)30)16(2)26(2315)14198920(3219)22(28)25121024(111325)174618(313)7517h49H1014H213H3
MFCD04048075
ZINC000000652777
ZINC00652777
ZINC652777

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Available files

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