Vitas-M small molecule compound

3-[3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2H-chromen-2-one

Catalog ID
STK785448
SMILES O=c1oc2ccccc2cc1c1sc2n(n1)c(nn2)c1cccnc1

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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 C17H9N5O2S MW 347.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9N5O2S/c23-16-12(8-10-4-1-2-6-13(10)24-16)15-21-22-14(19-20-17(22)25-15)11-5-3-7-18-9-11/h1-9H
InChIKey
DOBRYVJYMFRXHZ-UHFFFAOYSA-N
Synonyms
879052-00-3
3(3(pyridin3yl)(124)triazolo(34b)(134)thiadiazol6yl)2Hchromen2one
3(3PYRIDIN3YL(124)TRIAZOLO(34B)(134)THIADIAZOL6YL)CHROMEN2ONE
879052003
C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN4C(=NN=C4S3)C5=CN=CC=C5
InChI=1SC17H9N5O2Sc231612(810412613(10)2416)15212214(192017(22)2515)1153718911h19H
MFCD07403149
ZINC000004784400
ZINC04784400
ZINC4784400

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Available files

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