Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK545051
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1cccc2c1cccc2
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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 C29H29N9O5 MW 583.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N9O5/c1-40-25-15-19(9-10-24(25)42-18-21-7-4-6-20-5-2-3-8-22(20)21)16-31-33-29(39)26-23(17-37-11-13-41-14-12-37)38(36-32-26)28-27(30)34-43-35-28/h2-10,15-16H,11-14,17-18H2,1H3,(H2,30,34)(H,33,39)/b31-16+InChIKey
PMKYSSHQFZNRKF-WCMJOSRZSA-NSynonyms
(E)1(4amino125oxadiazol3yl)N(3methoxy4(naphthalen1ylmethoxy)benzylidene)5(morpholinomethyl)1H123triazole4carbohydrazide1(4amino125oxadiazol3yl)N((E)(3methoxy4(naphthalen1ylmethoxy)phenyl)methylidene)5(morpholin4ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3methoxy4(naphthalen1ylmethoxy)phenyl)methylideneamino)5(morpholin4ylmethyl)triazole4carboxamide
COC1=C(C=CC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCOCC4)OCC5=CC=CC6=CC=CC=C65
COc1cc(C=NNC(=O)c2nnn(c2CN2CCOCC2)c2nonc2N)ccc1OCc1cccc2c1cccc2
Registry IDs
MFCD03299171ZINC000097966592
ZINC102440284
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