Vitas-M small molecule compound
(2S)-{[6-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)hexanoyl]amino}(phenyl)ethanoic acid
Catalog ID
STK716974
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)CCCCCn1nnc2c(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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c26-18(22-19(21(28)29)15-9-3-1-4-10-15)13-5-2-8-14-25-20(27)16-11-6-7-12-17(16)23-24-25/h1,3-4,6-7,9-12,19H,2,5,8,13-14H2,(H,22,26)(H,28,29)/t19-/m0/s1InChIKey
VJKFUTYQCZUXNF-IBGZPJMESA-NSynonyms
958984-58-2(2S)((6(4oxo123benzotriazin3(4H)yl)hexanoyl)amino)(phenyl)ethanoicacid
(2S)2(6(4OXO123BENZOTRIAZIN3YL)HEXANOYLAMINO)2PHENYLACETICACID
(S)(6(4OXO4HBENZO(D)(123)TRIAZIN3YL)HEXANOYLAMINO)PHENYLACETICACID
(S)2(6(4oxobenzo(d)(123)triazin3(4H)yl)hexanamido)2phenylaceticacid
958984582
C1=CC=C(C=C1)C(C(=O)O)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2
InChI=1SC21H22N4O4c2618(2219(21(28)29)1593141015)13528142520(27)1611671217(16)232425h1346791219H2581314H2(H2226)(H2829)t19m0s1
MFCD06611111
O=C(N(C@@H)(c1ccccc1)C(=O)O)CCCCCn1nnc2c(c1=O)cccc2
ZINC000002352780
ZINC2352780
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