Vitas-M small molecule compound

1,3-benzothiazol-2-yl(4,5-diphenyl-1,3-dithiol-2-ylidene)acetonitrile

Catalog ID
STL137717
SMILES N#C/C(=C/1\SC(=C(S1)c1ccccc1)c1ccccc1)/c1nc2c(s1)cccc2

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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 C24H14N2S3 MW 426.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H14N2S3/c25-15-18(23-26-19-13-7-8-14-20(19)27-23)24-28-21(16-9-3-1-4-10-16)22(29-24)17-11-5-2-6-12-17/h1-14H
InChIKey
COVWEQDCWQSVMH-UHFFFAOYSA-N
Synonyms

13benzothiazol2yl(45diphenyl13dithiol2ylidene)acetonitrile
2(13BENZOTHIAZOL2YL)2(45DIPHENYL13DITHIOL2YLIDENE)ACETONITRILE
C1=CC=C(C=C1)C2=C(SC(=C(C#N)C3=NC4=CC=CC=C4S3)S2)C5=CC=CC=C5
InChI=1SC24H14N2S3c251518(23261913781420(19)2723)242821(1693141016)22(2924)17115261217h114H
MFCD03475753
N#CC(=C1SC(=C(S1)c1ccccc1)c1ccccc1)c1nc2c(s1)cccc2
ZINC000003184567
ZINC03184567
ZINC3184567

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Available files

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