Vitas-M small molecule compound
[4-(3,4-dichlorobenzyl)piperazin-1-yl]{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl}methanone
Catalog ID
STK315012
SMILES O=C(c1noc(c1Cn1nc(c(c1C)[N+](=O)[O-])C)C)N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl
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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 C22H24Cl2N6O4 MW 507.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24Cl2N6O4/c1-13-21(30(32)33)14(2)29(25-13)12-17-15(3)34-26-20(17)22(31)28-8-6-27(7-9-28)11-16-4-5-18(23)19(24)10-16/h4-5,10H,6-9,11-12H2,1-3H3InChIKey
NTCMWJITTUXWTG-UHFFFAOYSA-NSynonyms
1006995-65-8(4((34dichlorophenyl)methyl)piperazin1yl)(4((35dimethyl4nitropyrazol1yl)methyl)5methyl12oxazol3yl)methanone
(4(34dichlorobenzyl)piperazin1yl)(4((35dimethyl4nitro1Hpyrazol1yl)methyl)5methyl12oxazol3yl)methanone
1006995658
CC1=C(C(=NN1CC2=C(ON=C2C(=O)N3CCN(CC3)CC4=CC(=C(C=C4)Cl)Cl)C)C)(N+)(=O)(O)
InChI=1SC22H24Cl2N6O4c11321(30(32)33)14(2)29(2513)121715(3)342620(17)22(31)288627(7928)11164518(23)19(24)1016h4510H691112H213H3
MFCD08554022
O=C(c1noc(c1Cn1nc(c(c1C)(N+)(=O)(O))C)C)N1CCN(CC1)Cc1ccc(c(c1)Cl)Cl
ZINC000013961294
ZINC13961294
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