Vitas-M small molecule compound

ethyl 4-{[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)phenyl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK928696
SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)n1nnc2c(c1=O)cccc2

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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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-2-30-21(29)25-13-11-24(12-14-25)19(27)15-7-9-16(10-8-15)26-20(28)17-5-3-4-6-18(17)22-23-26/h3-10H,2,11-14H2,1H3
InChIKey
PZCMMUMCTWWPMA-UHFFFAOYSA-N
Synonyms
440332-52-5
440332525
CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=N3
ethyl4((4(4oxo123benzotriazin3(4H)yl)phenyl)carbonyl)piperazine1carboxylate
ethyl4(4(4oxo123benzotriazin3yl)benzoyl)piperazine1carboxylate
ethyl4(4(4oxobenzo(d)(123)triazin3(4H)yl)benzoyl)piperazine1carboxylate
InChI=1SC21H21N5O4c123021(29)25131124(121425)19(27)157916(10815)2620(28)17534618(17)222326h310H21114H21H3
MFCD02935697
ZINC000036359820
ZINC36359820

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Available files

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