Vitas-M small molecule compound
3-ethyl-5-methoxy-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate
Catalog ID
STL590363
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].COc1ccc2c(c1)[n+](CC)c(s2)/C=C\1/C=C(C)CC(C1)(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 C27H33NO4S2 MW 499.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26NOS.C7H8O3S/c1-6-21-17-11-16(22-5)7-8-18(17)23-19(21)10-15-9-14(2)12-20(3,4)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h7-11H,6,12-13H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b15-10-;InChIKey
WNVSMZRRBUIYQH-AZJSCORLSA-MSynonyms
(E)3ethyl5methoxy2((355trimethylcyclohex2en1ylidene)methyl)benzo(d)thiazol3ium4methylbenzenesulfonate
3ethyl5methoxy2((E)(355trimethylcyclohex2en1ylidene)methyl)13benzothiazol3ium4methylbenzenesulfonate
Cc1ccc(cc1)S(=O)(=O)(O)COc1ccc2c(c1)(n+)(CC)c(s2)C=C1C=C(C)CC(C1)(C)C
InChI=1SC20H26NOSC7H8O3Sc1621171116(225)7818(17)2319(21)1015914(2)1220(34)131516247(536)11(89)10h711H61213H215H325H1H3(H8910)q+1p1b1510
Check stock
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