Vitas-M small molecule compound
2,2-dimethyl-1-(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)propan-1-one
Catalog ID
STK206046
SMILES O=C(C(C)(C)C)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 C18H24N6O3S MW 404.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O3S/c1-18(2,3)16(25)23-9-7-22(8-10-23)13-5-6-14(24(26)27)15(11-13)28-17-20-19-12-21(17)4/h5-6,11-12H,7-10H2,1-4H3InChIKey
GCSDZNPTFUFGJK-UHFFFAOYSA-NSynonyms
22DIMETHYL1(4(3((4METHYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
22DIMETHYL1(4(3((4METHYL4H124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)PROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))SC3=NN=CN3C
InChI=1SC18H24N6O3Sc118(23)16(25)239722(81023)135614(24(26)27)15(1113)281720191221(17)4h561112H710H214H3
MFCD06633621
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)Sc1nncn1C)(N+)(=O)(O)
ZINC000004740960
ZINC04740960
ZINC4740960
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