Vitas-M small molecule compound
1-[(1E)-1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]piperidine
Catalog ID
STL335973
SMILES ClC(=C(Cl)Cl)/C(=C(/N1CCCCC1)\SCc1ccccc1)/[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 C16H17Cl3N2O2S MW 407.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17Cl3N2O2S/c17-13(15(18)19)14(21(22)23)16(20-9-5-2-6-10-20)24-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2/b16-14+InChIKey
JMPXJKIBJJUVFW-JQIJEIRASA-NSynonyms
74276-69-0(E)1(1(benzylthio)344trichloro2nitrobuta13dien1yl)piperidine
1((1E)1(benzylsulfanyl)344trichloro2nitrobuta13dien1yl)piperidine
1((1E)1BENZYLSULFANYL344TRICHLORO2NITROBUTA13DIENYL)PIPERIDINE
74276690
C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)(N+)(=O)(O))SCC2=CC=CC=C2
ClC(=C(Cl)Cl)C(=C(N1CCCCC1)SCc1ccccc1)(N+)(=O)(O)
InChI=1SC16H17Cl3N2O2Sc1713(15(18)19)14(21(22)23)16(2095261020)2411127314812h13478H256911H2b1614+
MFCD01326659
ZINC000001640436
ZINC01640436
ZINC1640436
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