Vitas-M small molecule compound

2-[(Z)-(5-chloro-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium

Catalog ID
STK383773
SMILES CCn1/c(=C/c2sc3c([n+]2CC)cccc3)/sc2c1cc(Cl)cc2

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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 C19H18ClN2S2 MW 373.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN2S2/c1-3-21-14-7-5-6-8-16(14)23-18(21)12-19-22(4-2)15-11-13(20)9-10-17(15)24-19/h5-12H,3-4H2,1-2H3/q+1
InChIKey
ITMAWTXKHMYIAS-UHFFFAOYSA-N
Synonyms

(2Z)5CHLORO3ETHYL2((3ETHYL13BENZOTHIAZOL3IUM2YL)METHYLIDENE)13BENZOTHIAZOLE
2((Z)(5chloro3ethyl13benzothiazol2(3H)ylidene)methyl)3ethyl13benzothiazol3ium
5CHLORO3ETHYL2((3ETHYL13BENZOTHIAZOL3IUM2YL)METHYLIDENE)13BENZOTHIAZOLE
CCn1c(=Cc2sc3c((n+)2CC)cccc3)sc2c1cc(Cl)cc2
CCN1C2=C(C=CC(=C2)Cl)SC1=CC3=(N+)(C4=CC=CC=C4S3)CC
InChI=1SC19H18ClN2S2c132114756816(14)2318(21)121922(42)151113(20)91017(15)2419h512H34H212H3q+1
ZINC000004124948
ZINC04124948
ZINC4124948

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Available files

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