Vitas-M small molecule compound

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

Catalog ID
STK572582
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCn1nnc2c(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 C18H16N4O4 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O4/c23-15(19-16(18(25)26)12-6-2-1-3-7-12)10-11-22-17(24)13-8-4-5-9-14(13)20-21-22/h1-9,16H,10-11H2,(H,19,23)(H,25,26)/t16-/m0/s1
InChIKey
YOONVHBWQSOYIE-INIZCTEOSA-N
Synonyms
958965-45-2
(2S)((3(4oxo123benzotriazin3(4H)yl)propanoyl)amino)(phenyl)ethanoicacid
(2S)2(3(4OXO123BENZOTRIAZIN3YL)PROPANOYLAMINO)2PHENYLACETICACID
(S)2(3(4oxobenzo(d)(123)triazin3(4H)yl)propanamido)2phenylaceticacid
958965452
C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC18H16N4O4c2315(1916(18(25)26)126213712)10112217(24)13845914(13)202122h1916H1011H2(H1923)(H2526)t16m0s1
MFCD06603810
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCn1nnc2c(c1=O)cccc2
ZINC000002241226
ZINC2241226

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Available files

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