Vitas-M small molecule compound
4-bromo-N-[(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-N,N-dimethylbutan-1-aminium
Catalog ID
STL043322
SMILES BrCCCC[N+](CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2)(C)C
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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 C22H26BrClNS MW 451.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26BrClNS/c1-25(2,14-6-5-13-23)15-7-9-18-19-8-3-4-10-21(19)26-22-12-11-17(24)16-20(18)22/h3-4,8-12,16H,5-7,13-15H2,1-2H3/q+1/b18-9-InChIKey
PBXASSYHVNCBJI-NVMNQCDNSA-NSynonyms
(Z)4bromoN(3(2chloro9Hthioxanthen9ylidene)propyl)NNdimethylbutan1aminiumbromide
4BROMOBUTYL((3Z)3(2CHLOROTHIOXANTHEN9YLIDENE)PROPYL)DIMETHYLAZANIUM
4bromoN((3Z)3(2chloro9Hthioxanthen9ylidene)propyl)NNdimethylbutan1aminium
BrCCCC(N+)(CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)(C)C
BrCCCC(N+)(CCC=C1c2ccccc2Sc2c1cc(Cl)cc2)(C)C(Br)
C(N+)(C)(CCCCBr)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI=1SC22H26BrClNSc125(214651323)157918198341021(19)2622121117(24)1620(18)22h3481216H571315H212H3q+1b189
ZINC000001830040
ZINC01830040
ZINC1830040
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