Vitas-M small molecule compound
3-ethyl-2-[(E)-(1-ethylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium
Catalog ID
STK367938
SMILES CCn1/c(=C/c2sc3c([n+]2CC)cccc3)/ccc2c1cccc2
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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 C21H21N2S MW 333.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N2S/c1-3-22-17(14-13-16-9-5-6-10-18(16)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21/h5-15H,3-4H2,1-2H3/q+1InChIKey
UJCNDPYFYMAVSQ-UHFFFAOYSA-NSynonyms
(2Z)3ETHYL2((1ETHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOLE
1ETHYL2((3ETHYLBENZOTHIAZOL2(3H)YLIDENE)METHYL)QUINOLINIUM
3ETHYL2((1ETHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOLE
3ETHYL2((1ETHYLQUINOLINE2(1H)YLIDENE)METHYL)BENZOTHIAZOLE3IUM
3ethyl2((E)(1ethylquinolin2(1H)ylidene)methyl)13benzothiazol3ium
CCn1c(=Cc2sc3c((n+)2CC)cccc3)ccc2c1cccc2
CCN1C2=CC=CC=C2SC1=CC3=(N+)(C4=CC=CC=C4C=C3)CC
InChI=1SC21H21N2Sc132217(1413169561018(16)22)152123(42)1911781220(19)2421h515H34H212H3q+1
MFCD02692286
ZINC000003146748
ZINC03146748
ZINC3146748
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