Vitas-M small molecule compound

1-[(4-chlorophenyl)sulfonyl]-4-(2,4-dinitrophenyl)-2-methylpiperazine

Catalog ID
STK099992
SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1C)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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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 C17H17ClN4O6S MW 440.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN4O6S/c1-12-11-19(16-7-4-14(21(23)24)10-17(16)22(25)26)8-9-20(12)29(27,28)15-5-2-13(18)3-6-15/h2-7,10,12H,8-9,11H2,1H3
InChIKey
MBTWNFNHVVVXDF-UHFFFAOYSA-N
Synonyms

1((4CHLOROPHENYL)SULFONYL)4(24DINITROPHENYL)2METHYLPIPERAZINE
1(4CHLOROPHENYL)SULFONYL4(24DINITROPHENYL)2METHYLPIPERAZINE
CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
Clc1ccc(cc1)S(=O)(=O)N1CCN(CC1C)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H17ClN4O6Sc1121119(167414(21(23)24)1017(16)22(25)26)8920(12)29(2728)155213(18)3615h271012H8911H21H3
MFCD02625924
STK099992
ZINC000009008841
ZINC000009008842

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Available files

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