Vitas-M small molecule compound

(1E)-1-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)propan-2-one

Catalog ID
STK067865
SMILES CCn1/c(=C\C(=O)C)/sc2c1cccc2

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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 C12H13NOS MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NOS/c1-3-13-10-6-4-5-7-11(10)15-12(13)8-9(2)14/h4-8H,3H2,1-2H3/b12-8+
InChIKey
ZAQJHSAPJIMKAM-XYOKQWHBSA-N
Synonyms
1082698-75-6
(1E)1(3ETHYL13BENZOTHIAZOL2(3H)YLIDENE)2PROPANONE
(1E)1(3ETHYL13BENZOTHIAZOL2(3H)YLIDENE)PROPAN2ONE
(1E)1(3ETHYL13BENZOTHIAZOL2YLIDENE)PROPAN2ONE
1(3ETHYL13BENZOTHIAZOL2(3H)YLIDENE)ACETONE
1082698756
2(ACETYLMETHYLENE)3ETHYLBENZOTHIAZOLINE
CCn1c(=CC(=O)C)sc2c1cccc2
CCN1C2=CC=CC=C2SC1=CC(=O)C
InChI=1SC12H13NOSc131310645711(10)1512(13)89(2)14h48H3H212H3b128+
MFCD00795054
STK067865
ZINC000100199745
ZINC100199745

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.