Vitas-M small molecule compound
3-ethyl-5-methoxy-2-[(1E)-2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Catalog ID
STK374742
SMILES CS/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 C14H18NOS2 MW 280.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18NOS2/c1-5-15-12-9-11(16-3)6-7-13(12)18-14(15)8-10(2)17-4/h6-9H,5H2,1-4H3/q+1/b10-8+InChIKey
TWYYBBAISLNZEW-CSKARUKUSA-NSynonyms
3ethyl5methoxy2((1E)2(methylsulfanyl)prop1en1yl)13benzothiazol3ium
3ETHYL5METHOXY2((E)2METHYLSULFANYLPROP1ENYL)13BENZOTHIAZOL3IUM
CC(N+)1=C(SC2=C1C=C(C=C2)OC)C=C(C)SC
CSC(=Cc1sc2c((n+)1CC)cc(cc2)OC)C
InChI=1SC14H18NOS2c151512911(163)6713(12)1814(15)810(2)174h69H5H214H3q+1b108+
MFCD01010189
ZINC000001505321
ZINC01505321
ZINC1505321
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