Vitas-M small molecule compound

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

Catalog ID
STK716969
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCCn1nnc2c(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 C19H18N4O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4/c24-16(20-17(19(26)27)13-7-2-1-3-8-13)11-6-12-23-18(25)14-9-4-5-10-15(14)21-22-23/h1-5,7-10,17H,6,11-12H2,(H,20,24)(H,26,27)/t17-/m0/s1
InChIKey
QZIPLMGZYHUZDC-KRWDZBQOSA-N
Synonyms
958984-61-7
(2S)((4(4oxo123benzotriazin3(4H)yl)butanoyl)amino)(phenyl)ethanoicacid
(2S)2(4(4OXO123BENZOTRIAZIN3YL)BUTANOYLAMINO)2PHENYLACETICACID
(S)(4(4OXO4HBENZO(D)(123)TRIAZIN3YL)BUTYRYLAMINO)PHENYLACETICACID
(S)2(4(4oxobenzo(d)(123)triazin3(4H)yl)butanamido)2phenylaceticacid
958984617
C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCCN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC19H18N4O4c2416(2017(19(26)27)137213813)116122318(25)149451015(14)212223h1571017H61112H2(H2024)(H2627)t17m0s1
MFCD06591678
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCCn1nnc2c(c1=O)cccc2
ZINC000002444184
ZINC2444184

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Available files

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