Vitas-M small molecule compound

ethyl (2E)-2-{[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]imino}-4-phenyl-2,3-dihydro-1,3-thiazole-5-carboxylate

Catalog ID
STL248578
SMILES CCOC(=O)c1s/c(=N/C(=O)CCn2nnc3c(c2=O)cccc3)/[nH]c1c1ccccc1

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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 C22H19N5O4S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O4S/c1-2-31-21(30)19-18(14-8-4-3-5-9-14)24-22(32-19)23-17(28)12-13-27-20(29)15-10-6-7-11-16(15)25-26-27/h3-11H,2,12-13H2,1H3,(H,23,24,28)
InChIKey
BVKPLHCGDPFGFI-UHFFFAOYSA-N
Synonyms
1401556-53-3
1401556533
CCOC(=O)C1=C(N=C(S1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4
CCOC(=O)c1sc(=NC(=O)CCn2nnc3c(c2=O)cccc3)(nH)c1c1ccccc1
ethyl(2E)2((3(4oxo123benzotriazin3(4H)yl)propanoyl)imino)4phenyl23dihydro13thiazole5carboxylate
ethyl2(3(4oxo123benzotriazin3yl)propanoylamino)4phenyl13thiazole5carboxylate
InChI=1SC22H19N5O4Sc123121(30)1918(148435914)2422(3219)2317(28)12132720(29)1510671116(15)252627h311H21213H21H3(H232428)
MFCD24861243
ZINC000057658352
ZINC57658352

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Available files

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