Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-1-(1H-benzotriazol-1-yl)prop-2-en-1-one

Catalog ID
STK076323
SMILES O=C(n1nnc2c1cccc2)/C=C/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 C16H11N3O3 MW 293.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O3/c20-16(19-13-4-2-1-3-12(13)17-18-19)8-6-11-5-7-14-15(9-11)22-10-21-14/h1-9H,10H2/b8-6+
InChIKey
QHPFAPGDJLGTHS-SOFGYWHQSA-N
Synonyms
1362016-72-5
(2E)3(13BENZODIOXOL5YL)1(1HBENZOTRIAZOL1YL)PROP2EN1ONE
(2E)3(2H13BENZODIOXOL5YL)1(123BENZOTRIAZOL1YL)PROP2EN1ONE
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)1BENZOTRIAZOLYLPROP2EN1ONE
(E)1(1Hbenzo(d)(123)triazol1yl)3(benzo(d)(13)dioxol5yl)prop2en1one
(E)3(13BENZODIOXOL5YL)1(BENZOTRIAZOL1YL)PROP2EN1ONE
(E)3BENZO(13)DIOXOL5YL1BENZOTRIAZOL1YLPROP2EN1ONE
1362016725
C1OC2=C(O1)C=C(C=C2)C=CC(=O)N3C4=CC=CC=C4N=N3
InChI=1SC16H11N3O3c2016(1913421312(13)171819)8611571415(911)22102114h19H10H2b86+
MFCD02219729
O=C(n1nnc2c1cccc2)C=Cc1ccc2c(c1)OCO2
STK076323
ZINC000004508345
ZINC04508345
ZINC4508345

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Available files

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