Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene]-5-(morpholin-4-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK758529
SMILES COc1ccc2c(c1)CCC/C/2=N/NC(=O)c1nnn(c1CN1CCOCC1)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 C21H25N9O4 MW 467.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N9O4/c1-32-14-5-6-15-13(11-14)3-2-4-16(15)23-25-21(31)18-17(12-29-7-9-33-10-8-29)30(28-24-18)20-19(22)26-34-27-20/h5-6,11H,2-4,7-10,12H2,1H3,(H2,22,26)(H,25,31)/b23-16-InChIKey
XSJKCUOXWQODJS-KQWNVCNZSA-NSynonyms
1(4AMINO125OXADIAZOL3YL)N((1Z)6METHOXY34DIHYDRONAPHTHALEN1(2H)YLIDENE)5(MORPHOLIN4YLMETHYL)1H123TRIAZOLE4CARBOHYDRAZIDE
1(4amino125oxadiazol3yl)N((Z)(6methoxy34dihydro2Hnaphthalen1ylidene)amino)5(morpholin4ylmethyl)triazole4carboxamide
COC1=CC2=C(C=C1)C(=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCOCC5)CCC2
COc1ccc2c(c1)CCCC2=NNC(=O)c1nnn(c1CN1CCOCC1)c1nonc1N
InChI=1SC21H25N9O4c13214561513(1114)32416(15)232521(31)1817(1229793310829)30(282418)2019(22)26342720h5611H2471012H21H3(H22226)(H2531)b2316
MFCD00759695
ZINC000100069214
ZINC15188272
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