Vitas-M small molecule compound
methyl (2E)-2-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]imino}-5-(2-phenylethyl)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL250290
SMILES COC(=O)c1[nH]/c(=N\C(=O)C(n2nnc3c(c2=O)cccc3)C)/sc1CCc1ccccc1
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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 C23H21N5O4S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O4S/c1-14(28-21(30)16-10-6-7-11-17(16)26-27-28)20(29)25-23-24-19(22(31)32-2)18(33-23)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,24,25,29)InChIKey
WWQQKYZXXPJZRI-UHFFFAOYSA-NSynonyms
COC(=O)c1(nH)c(=NC(=O)C(n2nnc3c(c2=O)cccc3)C)sc1CCc1ccccc1
methyl(2E)2((2(4oxo123benzotriazin3(4H)yl)propanoyl)imino)5(2phenylethyl)23dihydro13thiazole4carboxylate
MFCD24852300
ZINC000072402439
ZINC000080337316
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