Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{2-[(4-bromobenzyl)oxy]-3-methoxyphenyl}methylidene]-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL040044
SMILES COc1cccc(c1OCc1ccc(cc1)Br)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)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 C24H22BrN9O4S2 MW 644.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22BrN9O4S2/c1-36-18-4-2-3-15(20(18)37-12-14-5-7-16(25)8-6-14)11-28-30-23(35)19-17(13-40-24-27-9-10-39-24)34(33-29-19)22-21(26)31-38-32-22/h2-8,11H,9-10,12-13H2,1H3,(H2,26,31)(H,30,35)/b28-11+
InChIKey
CETFJXFPZXFWQK-IPBVOBEMSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(2((4bromobenzyl)oxy)3methoxybenzylidene)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2((4bromobenzyl)oxy)3methoxyphenyl)methylidene)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(2((4bromophenyl)methoxy)3methoxyphenyl)methylideneamino)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carboxamide
COC1=CC=CC(=C1OCC2=CC=C(C=C2)Br)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CSC5=NCCS5
COc1cccc(c1OCc1ccc(cc1)Br)C=NNC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
InChI=1SC24H22BrN9O4S2c1361842315(20(18)3712145716(25)8614)11283023(35)1917(134024279103924)34(332919)2221(26)31383222h2811H9101213H21H3(H22631)(H3035)b2811+
MFCD03340097
ZINC000097969100
ZINC150610866

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Available files

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