Vitas-M small molecule compound
3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl benzoate
Catalog ID
STK997211
SMILES O=C(c1ccccc1)Oc1cccc(c1)NC1=C(C(=O)c2c(C1=O)cccc2)n1nnc2c1cccc2
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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 C29H18N4O4 MW 486.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H18N4O4/c34-27-21-13-4-5-14-22(21)28(35)26(33-24-16-7-6-15-23(24)31-32-33)25(27)30-19-11-8-12-20(17-19)37-29(36)18-9-2-1-3-10-18/h1-17,30HInChIKey
XUFRFFMFAJCWLK-UHFFFAOYSA-NSynonyms
497240-55-8(3((3(BENZOTRIAZOL1YL)14DIOXONAPHTHALEN2YL)AMINO)PHENYL)BENZOATE
3((3(1H123BENZOTRIAZOL1YL)14DIOXO14DIHYDRO2NAPHTHALENYL)AMINO)PHENYLBENZOATE
3((3(1Hbenzo(d)(123)triazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenylbenzoate
3((3(1Hbenzotriazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenylbenzoate
497240558
C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)N5C6=CC=CC=C6N=N5
InChI=1SC29H18N4O4c34272113451422(21)28(35)26(332416761523(24)313233)25(27)30191181220(1719)3729(36)1892131018h11730H
MFCD03299992
ZINC000002334409
ZINC02334409
ZINC2334409
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