Vitas-M small molecule compound
2-[(1E)-2-ethoxyprop-1-en-1-yl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium
Catalog ID
STL325386
SMILES CCO/C(=C/c1sc2c([n+]1CC)cc(cc2)OC)/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 C15H20NO2S MW 278.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20NO2S/c1-5-16-13-10-12(17-4)7-8-14(13)19-15(16)9-11(3)18-6-2/h7-10H,5-6H2,1-4H3/q+1/b11-9+InChIKey
YHYYGBVMLHYDTC-PKNBQFBNSA-NSynonyms
2((1E)2ethoxyprop1en1yl)3ethyl5methoxy13benzothiazol3ium
2((E)2ETHOXYPROP1ENYL)3ETHYL5METHOXY13BENZOTHIAZOL3IUM
CC(N+)1=C(SC2=C1C=C(C=C2)OC)C=C(C)OCC
CCOC(=Cc1sc2c((n+)1CC)cc(cc2)OC)C
InChI=1SC15H20NO2Sc1516131012(174)7814(13)1915(16)911(3)1862h710H56H214H3q+1b119+
MFCD01875113
ZINC000000318013
ZINC00318013
ZINC318013
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