Vitas-M small molecule compound

(2E)-1-(1H-benzotriazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Catalog ID
STK026022
SMILES COc1cc(/C=C/C(=O)n2nnc3c2cccc3)cc(c1OC)OC

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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 C18H17N3O4 MW 339.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4/c1-23-15-10-12(11-16(24-2)18(15)25-3)8-9-17(22)21-14-7-5-4-6-13(14)19-20-21/h4-11H,1-3H3/b9-8+
InChIKey
VBEACASGPBSNAK-CMDGGOBGSA-N
Synonyms
519054-07-0
(2E)1(1HBENZOTRIAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
(E)1(BENZOTRIAZOL1YL)3(345TRIMETHOXYPHENYL)2PROPEN1ONE
(E)1(BENZOTRIAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
1BENZOTRIAZOL1YL3(345TRIMETHOXYPHENYL)PROPENONE
519054070
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C3=CC=CC=C3N=N2
COc1cc(C=CC(=O)n2nnc3c2cccc3)cc(c1OC)OC
InChI=1SC18H17N3O4c123151012(1116(242)18(15)253)8917(22)2114754613(14)192021h411H13H3b98+
MFCD03119591
STK026022
ZINC000004543829
ZINC04543829
ZINC4543829

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Available files

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