Vitas-M small molecule compound
{4-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]phenyl}[4-(ethylsulfonyl)piperazin-1-yl]methanone
Catalog ID
STL396994
SMILES CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)[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 C17H20ClN5O5S MW 441.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN5O5S/c1-2-29(27,28)22-9-7-20(8-10-22)17(24)14-5-3-13(4-6-14)11-21-12-15(18)16(19-21)23(25)26/h3-6,12H,2,7-11H2,1H3InChIKey
AQDCMXURPFIADS-UHFFFAOYSA-NSynonyms
1005572-12-2(4((4CHLORO3NITRO1HPYRAZOL1YL)METHYL)PHENYL)(4(ETHYLSULFONYL)PIPERAZIN1YL)METHANONE
(4((4chloro3nitropyrazol1yl)methyl)phenyl)(4ethylsulfonylpiperazin1yl)methanone
1005572122
CCS(=O)(=O)N1CCN(CC1)C(=O)c1ccc(cc1)Cn1cc(c(n1)(N+)(=O)(O))Cl
CCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC17H20ClN5O5Sc1229(2728)229720(81022)17(24)145313(4614)11211215(18)16(1921)23(25)26h3612H2711H21H3
MFCD04138915
ZINC000002728455
ZINC02728455
ZINC2728455
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