Vitas-M small molecule compound
[2-chloro-5-(methylsulfanyl)phenyl]{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK780552
SMILES CSc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)[N+](=O)[O-])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 C23H24ClN5O3S MW 485.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN5O3S/c1-15-12-16(2)28(25-15)22-13-17(4-7-21(22)29(31)32)26-8-10-27(11-9-26)23(30)19-14-18(33-3)5-6-20(19)24/h4-7,12-14H,8-11H2,1-3H3InChIKey
BSXLMQXWINUWPO-UHFFFAOYSA-NSynonyms
(2chloro5(methylsulfanyl)phenyl)(4(3(35dimethyl1Hpyrazol1yl)4nitrophenyl)piperazin1yl)methanone
(2CHLORO5METHYLSULFANYLPHENYL)(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)METHANONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)SC)Cl)(N+)(=O)(O))C
CSc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(cc1C)C)(N+)(=O)(O))Cl
InChI=1SC23H24ClN5O3Sc1151216(2)28(2515)221317(4721(22)29(31)32)2681027(11926)23(30)191418(333)5620(19)24h471214H811H213H3
MFCD06013264
ZINC000012446081
ZINC12446081
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