Vitas-M small molecule compound
1-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazine
Catalog ID
STK158067
SMILES [O-][N+](=O)c1ccc(cc1Sc1nncn1C)N1CCNCC1
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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 C13H16N6O2S MW 320.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N6O2S/c1-17-9-15-16-13(17)22-12-8-10(2-3-11(12)19(20)21)18-6-4-14-5-7-18/h2-3,8-9,14H,4-7H2,1H3InChIKey
QFBLRHDHQCQSJX-UHFFFAOYSA-NSynonyms
591765-39-8(O)(N+)(=O)c1ccc(cc1Sc1nncn1C)N1CCNCC1
1(3((4METHYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZINE
1(3((4METHYL4H124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZINE
1(3((4methyl4H124triazol3yl)thio)4nitrophenyl)piperazine
1(3(4METHYL4H(124)TRIAZOL3YLSULFANYL)4NITROPHENYL)PIPERAZINE
591765398
CN1C=NN=C1SC2=C(C=CC(=C2)N3CCNCC3)(N+)(=O)(O)
InChI=1SC13H16N6O2Sc1179151613(17)2212810(2311(12)19(20)21)1864145718h238914H47H21H3
MFCD03687472
ZINC000004688287
ZINC4688287
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