Vitas-M small molecule compound
3-ethyl-2,5,6-trimethyl-1,3-benzothiazol-3-ium
Catalog ID
STK396276
SMILES CC[n+]1c(C)sc2c1cc(C)c(c2)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 C12H16NS MW 206.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16NS/c1-5-13-10(4)14-12-7-9(3)8(2)6-11(12)13/h6-7H,5H2,1-4H3/q+1InChIKey
BBYLYDYICMROJQ-UHFFFAOYSA-NSynonyms
3ethyl256trimethyl13benzothiazol3ium
3ETHYL256TRIMETHYLBENZOTHIAZOL3IUM
CC(N+)1=C(SC2=C1C=C(C(=C2)C)C)C
CC(n+)1c(C)sc2c1cc(C)c(c2)C
InChI=1SC12H16NSc151310(4)141279(3)8(2)611(12)13h67H5H214H3q+1
MFCD00602769
ZINC000000347773
ZINC00347773
ZINC347773
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