Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N'-[(E)-(3-chlorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK673444
SMILES Clc1cccc(c1)/C=N/NC(=O)c1nnn(c1CN1CCCCCC1)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 C19H22ClN9O2 MW 443.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN9O2/c20-14-7-5-6-13(10-14)11-22-24-19(30)16-15(12-28-8-3-1-2-4-9-28)29(27-23-16)18-17(21)25-31-26-18/h5-7,10-11H,1-4,8-9,12H2,(H2,21,25)(H,24,30)/b22-11+InChIKey
KAQXXBAMRAKDOV-SSDVNMTOSA-NSynonyms
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(3chlorophenyl)methylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(azepan1ylmethyl)N((E)(3chlorophenyl)methylideneamino)triazole4carboxamide
C1CCCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)Cl
Clc1cccc(c1)C=NNC(=O)c1nnn(c1CN1CCCCCC1)c1nonc1N
InChI=1SC19H22ClN9O2c201475613(1014)11222419(30)1615(122883124928)29(272316)1817(21)25312618h571011H148912H2(H22125)(H2430)b2211+
MFCD01304803
ZINC000012428694
ZINC33296044
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