Vitas-M small molecule compound

(2R)-(4-hydroxyphenyl){[(2S)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]amino}ethanoic acid

Catalog ID
STL226439
SMILES O=C([C@@H](n1nnc2c(c1=O)cccc2)C)N[C@H](c1ccc(cc1)O)C(=O)O

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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 C18H16N4O5 MW 368.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O5/c1-10(22-17(25)13-4-2-3-5-14(13)20-21-22)16(24)19-15(18(26)27)11-6-8-12(23)9-7-11/h2-10,15,23H,1H3,(H,19,24)(H,26,27)/t10-,15+/m0/s1
InChIKey
VYTFPZIOZIJHNA-ZUZCIYMTSA-N
Synonyms

(2R)(4hydroxyphenyl)(((2S)2(4oxo123benzotriazin3(4H)yl)propanoyl)amino)ethanoicacid
(2R)2(4HYDROXYPHENYL)2(((2S)2(4OXO123BENZOTRIAZIN3YL)PROPANOYL)AMINO)ACETICACID
(2R)2(4hydroxyphenyl)2(2(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)aceticacid
CC(C(=O)NC(C1=CC=C(C=C1)O)C(=O)O)N2C(=O)C3=CC=CC=C3N=N2
InChI=1SC18H16N4O5c110(2217(25)13423514(13)202122)16(24)1915(18(26)27)116812(23)9711h2101523H1H3(H1924)(H2627)t1015+m0s1
MFCD24858066
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)N(C@H)(c1ccc(cc1)O)C(=O)O
O=C(C(n1nnc2c(c1=O)cccc2)C)N(C@H)(c1ccc(cc1)O)C(=O)O
ZINC000006760218
ZINC6760218

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Available files

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