Vitas-M small molecule compound

2-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2,3-dihydro-1H-indol-1-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-6-methoxyphenyl benzoate

Catalog ID
STK548190
SMILES COc1cccc(c1OC(=O)c1ccccc1)/C=N/NC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N

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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 C29H25N9O5 MW 579.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N9O5/c1-41-23-13-7-11-20(25(23)42-29(40)19-9-3-2-4-10-19)16-31-33-28(39)24-22(38(36-32-24)27-26(30)34-43-35-27)17-37-15-14-18-8-5-6-12-21(18)37/h2-13,16H,14-15,17H2,1H3,(H2,30,34)(H,33,39)/b31-16+
InChIKey
GAORMTDVNZFSDS-WCMJOSRZSA-N
Synonyms

(2((E)((1(4AMINO125OXADIAZOL3YL)5(23DIHYDROINDOL1YLMETHYL)TRIAZOLE4CARBONYL)HYDRAZINYLIDENE)METHYL)6METHOXYPHENYL)BENZOATE
(E)2((2(1(4amino125oxadiazol3yl)5(indolin1ylmethyl)1H123triazole4carbonyl)hydrazono)methyl)6methoxyphenylbenzoate
2((E)(2((1(4amino125oxadiazol3yl)5(23dihydro1Hindol1ylmethyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)6methoxyphenylbenzoate
COC1=CC=CC(=C1OC(=O)C2=CC=CC=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCC6=CC=CC=C65
COc1cccc(c1OC(=O)c1ccccc1)C=NNC(=O)c1nnn(c1CN1CCc2c1cccc2)c1nonc1N
InChI=1SC29H25N9O5c141231371120(25(23)4229(40)1993241019)16313328(39)2422(38(363224)2726(30)34433527)17371514188561221(18)37h21316H141517H21H3(H23034)(H3339)b3116+
MFCD03294660
ZINC000002613021
ZINC102450056

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Available files

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