Vitas-M small molecule compound
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[3-(1H-benzotriazol-1-ylmethyl)-4-methoxyphenyl]methylidene}-5-[(phenylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
Catalog ID
STK546848
SMILES COc1ccc(cc1Cn1nnc2c1cccc2)/C=N/NC(=O)c1nnn(c1CNc1ccccc1)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 C27H24N12O3 MW 564.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N12O3/c1-41-23-12-11-17(13-18(23)16-38-21-10-6-5-9-20(21)31-36-38)14-30-33-27(40)24-22(15-29-19-7-3-2-4-8-19)39(37-32-24)26-25(28)34-42-35-26/h2-14,29H,15-16H2,1H3,(H2,28,34)(H,33,40)/b30-14+InChIKey
WAJOVWNANDXQSZ-AMVVHIIESA-NSynonyms
(E)N(3((1Hbenzo(d)(123)triazol1yl)methyl)4methoxybenzylidene)1(4amino125oxadiazol3yl)5((phenylamino)methyl)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5(ANILINOMETHYL)N((E)(3(BENZOTRIAZOL1YLMETHYL)4METHOXYPHENYL)METHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
1(4amino125oxadiazol3yl)N((E)(3(1Hbenzotriazol1ylmethyl)4methoxyphenyl)methylidene)5((phenylamino)methyl)1H123triazole4carbohydrazide
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4)CN5C6=CC=CC=C6N=N5
COc1ccc(cc1Cn1nnc2c1cccc2)C=NNC(=O)c1nnn(c1CNc1ccccc1)c1nonc1N
InChI=1SC27H24N12O3c14123121117(1318(23)1638211065920(21)313638)14303327(40)2422(1529197324819)39(373224)2625(28)34423526h21429H1516H21H3(H22834)(H3340)b3014+
MFCD03339841
ZINC000001875442
ZINC35973857
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