Vitas-M small molecule compound
3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium
Catalog ID
STK396271
SMILES CC[n+]1c(/C=C/2\C=C(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 C19H24NS MW 298.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24NS/c1-5-20-16-8-6-7-9-17(16)21-18(20)11-15-10-14(2)12-19(3,4)13-15/h6-11H,5,12-13H2,1-4H3/q+1/b15-11+InChIKey
HASRMKAJHCVHOP-RVDMUPIBSA-NSynonyms
(E)3ethyl2((355trimethylcyclohex2en1ylidene)methyl)benzo(d)thiazol3ium4methylbenzenesulfonate
3ETHYL2((355TRIMETHYL2CYCLOHEXEN1YLIDENE)METHYL)BENZOTHIAZOLIUM
3ETHYL2((355TRIMETHYLCYCLOHEX2ENYLIDENE)METHYL)BENZOTHIAZOLE
3ethyl2((Z)(355trimethylcyclohex2en1ylidene)methyl)13benzothiazol3ium
3ETHYL2(355TRIMETHYLCYCLOHEX2ENYLIDENEMETHYL)BENZOTHIAZOL3IUM
CC(N+)1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C
CC(n+)1c(C=C2C=C(C)CC(C2)(C)C)sc2c1cccc2
Cc1ccc(cc1)S(=O)(=O)(O)CC(n+)1c(C=C2C=C(C)CC(C2)(C)C)sc2c1cccc2
InChI=1SC19H24NSc152016867917(16)2118(20)11151014(2)1219(34)1315h611H51213H214H3q+1b1511+
MFCD00602766
ZINC000013119355
ZINC13119355
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