Vitas-M small molecule compound
3-ethyl-2-[(E)-(3,4,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
Catalog ID
STK377870
SMILES CC[n+]1c(/C=C/2\CC(C)C(C(=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 C19H24NS MW 298.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24NS/c1-5-20-17-8-6-7-9-18(17)21-19(20)12-16-10-13(2)15(4)14(3)11-16/h6-10,12,14-15H,5,11H2,1-4H3/q+1/b16-12-InChIKey
NZHKTGOPQBLMSY-VBKFSLOCSA-NSynonyms
3ethyl2((E)(345trimethylcyclohex2en1ylidene)methyl)13benzothiazol3ium
CC(N+)1=C(SC2=CC=CC=C21)C=C3CC(C(C(=C3)C)C)C
CC(n+)1c(C=C2CC(C)C(C(=C2)C)C)sc2c1cccc2
InChI=1SC19H24NSc152017867918(17)2119(20)12161013(2)15(4)14(3)1116h610121415H511H214H3q+1b1612
ZINC000004182249
ZINC000004182253
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