Vitas-M small molecule compound

3-{[3-(1H-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}phenyl 4-fluorobenzoate

Catalog ID
STL000293
SMILES Fc1ccc(cc1)C(=O)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 C29H17FN4O4 MW 504.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H17FN4O4/c30-18-14-12-17(13-15-18)29(37)38-20-7-5-6-19(16-20)31-25-26(34-24-11-4-3-10-23(24)32-33-34)28(36)22-9-2-1-8-21(22)27(25)35/h1-16,31H
InChIKey
TXDSMGMQNYLLEK-UHFFFAOYSA-N
Synonyms
488110-98-1
(3((3(BENZOTRIAZOL1YL)14DIOXONAPHTHALEN2YL)AMINO)PHENYL)4FLUOROBENZOATE
3((3(1Hbenzo(d)(123)triazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenyl4fluorobenzoate
3((3(1Hbenzotriazol1yl)14dioxo14dihydronaphthalen2yl)amino)phenyl4fluorobenzoate
488110981
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)OC(=O)C6=CC=C(C=C6)F
InChI=1SC29H17FN4O4c3018141217(131518)29(37)382075619(1620)312526(342411431023(24)323334)28(36)22921821(22)27(25)35h11631H
MFCD03289165
ZINC000002329703
ZINC02329703
ZINC2329703

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Available files

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