Vitas-M small molecule compound
2-[(E)-(5,5-dimethyl-3-{(E)-2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
Catalog ID
STK792994
SMILES CC[n+]1c(/C=C\2/C=C(/C=C/N(c3ccccc3)C)CC(C2)(C)C)sc2c1cccc2
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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 C27H31N2S MW 415.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N2S/c1-5-29-24-13-9-10-14-25(24)30-26(29)18-22-17-21(19-27(2,3)20-22)15-16-28(4)23-11-7-6-8-12-23/h6-18H,5,19-20H2,1-4H3/q+1InChIKey
PNRAEZWZTOAGRR-UHFFFAOYSA-NSynonyms
2((E)(55dimethyl3((E)2(methyl(phenyl)amino)ethenyl)cyclohex2en1ylidene)methyl)3ethyl13benzothiazol3ium
CC(N+)1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C=CN(C)C4=CC=CC=C4)(C)C
CC(n+)1c(C=C2C=C(C=CN(c3ccccc3)C)CC(C2)(C)C)sc2c1cccc2
InChI=1SC27H31N2Sc152924139101425(24)3026(29)18221721(1927(23)2022)151628(4)23117681223h618H51920H214H3q+1
MFCD03284681
N((E)2((3E)3((3ETHYL13BENZOTHIAZOL3IUM2YL)METHYLIDENE)55DIMETHYLCYCLOHEXEN1YL)ETHENYL)NMETHYLANILINE
N((E)2((3Z)3((3ETHYL13BENZOTHIAZOL3IUM2YL)METHYLIDENE)55DIMETHYLCYCLOHEXEN1YL)ETHENYL)NMETHYLANILINE
N(2(3((3ETHYL13BENZOTHIAZOL3IUM2YL)METHYLIDENE)55DIMETHYLCYCLOHEXEN1YL)ETHENYL)NMETHYLANILINE
ZINC000001805787
ZINC01805787
ZINC1805787
Check stock
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Check stock on Vitas-MAvailable files
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