Vitas-M small molecule compound

1-[(4-methylphenyl)sulfonyl]-4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazine

Catalog ID
STK130053
SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)[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 C20H22N6O4S2 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O4S2/c1-15-3-6-17(7-4-15)32(29,30)25-11-9-24(10-12-25)16-5-8-18(26(27)28)19(13-16)31-20-22-21-14-23(20)2/h3-8,13-14H,9-12H2,1-2H3
InChIKey
QTBIJBBHNGRHDF-UHFFFAOYSA-N
Synonyms
593237-69-5
1((4METHYLPHENYL)SULFONYL)4(3((4METHYL4H124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZINE
1((4METHYLPHENYL)SULFONYL)4(3((4METHYL4H124TRIAZOL3YL)THIO)4NITROPHENYL)PIPERAZINE
1(3((4methyl4H124triazol3yl)thio)4nitrophenyl)4tosylpiperazine
1(4METHYLPHENYL)SULFONYL4(3((4METHYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZINE
593237695
CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))SC4=NN=CN4C
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)(N+)(=O)(O)
InChI=1SC20H22N6O4S2c1153617(7415)32(2930)2511924(101225)165818(26(27)28)19(1316)312022211423(20)2h381314H912H212H3
MFCD03694112
ZINC000008682345
ZINC08682345
ZINC8682345

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Available files

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