Vitas-M small molecule compound
3-ethyl-5-methoxy-2-[(1Z)-2-(methylsulfanyl)but-1-en-1-yl]-1,3-benzothiazol-3-ium
Catalog ID
STK379488
SMILES CC/C(=C/c1sc2c([n+]1CC)cc(cc2)OC)/SC
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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 C15H20NOS2 MW 294.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20NOS2/c1-5-12(18-4)10-15-16(6-2)13-9-11(17-3)7-8-14(13)19-15/h7-10H,5-6H2,1-4H3/q+1/b12-10-InChIKey
IVOLGKCSVPEAEC-BENRWUELSA-NSynonyms
3ethyl5methoxy2((1Z)2(methylsulfanyl)but1en1yl)13benzothiazol3ium
3ETHYL5METHOXY2((Z)2METHYLSULFANYLBUT1ENYL)13BENZOTHIAZOL3IUM
CCC(=CC1=(N+)(C2=C(S1)C=CC(=C2)OC)CC)SC
CCC(=Cc1sc2c((n+)1CC)cc(cc2)OC)SC
InChI=1SC15H20NOS2c1512(184)101516(62)13911(173)7814(13)1915h710H56H214H3q+1b1210
ZINC000000248437
ZINC00248437
ZINC248437
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