Vitas-M small molecule compound

6-(1,3-benzodioxol-5-yl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

Catalog ID
STK558391
SMILES c1ccc(nc1)c1nnc2n1N=C(CS2)c1ccc2c(c1)OCO2

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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 C16H11N5O2S MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N5O2S/c1-2-6-17-11(3-1)15-18-19-16-21(15)20-12(8-24-16)10-4-5-13-14(7-10)23-9-22-13/h1-7H,8-9H2
InChIKey
PTOSJHAGJGLBHM-UHFFFAOYSA-N
Synonyms
578736-80-8
2(6(2H13BENZODIOXOL5YL)7H(124)TRIAZOLO(34B)(134)THIADIAZIN3YL)PYRIDINE
578736808
6(13benzodioxol5yl)3(pyridin2yl)7H(124)triazolo(34b)(134)thiadiazine
6(13BENZODIOXOL5YL)3PYRIDIN2YL7H(124)TRIAZOLO(34B)(134)THIADIAZINE
6(2HBENZO(34D)13DIOXOLEN5YL)3(2PYRIDYL)7H124TRIAZOLO(34B)134THIADIAZINE
6(benzo(d)(13)dioxol5yl)3(pyridin2yl)7H(124)triazolo(34b)(134)thiadiazine
C1C(=NN2C(=NN=C2S1)C3=CC=CC=N3)C4=CC5=C(C=C4)OCO5
InChI=1SC16H11N5O2Sc1261711(31)1518191621(15)2012(82416)10451314(710)2392213h17H89H2
MFCD04031873
ZINC000000532936
ZINC00532936
ZINC532936

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Available files

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