Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}ethylidene]-5-[(4-methylpiperidin-1-yl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK551350
SMILES COc1cc(ccc1OCc1ccc(cc1)Cl)/C(=N/NC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N)/C

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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 C28H32ClN9O4 MW 594.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32ClN9O4/c1-17-10-12-37(13-11-17)15-22-25(32-36-38(22)27-26(30)34-42-35-27)28(39)33-31-18(2)20-6-9-23(24(14-20)40-3)41-16-19-4-7-21(29)8-5-19/h4-9,14,17H,10-13,15-16H2,1-3H3,(H2,30,34)(H,33,39)/b31-18+
InChIKey
DKVIYKUGMSSCNF-FDAWAROLSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(1(4((4chlorobenzyl)oxy)3methoxyphenyl)ethylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(4((4chlorobenzyl)oxy)3methoxyphenyl)ethylidene)5((4methylpiperidin1yl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(4((4chlorophenyl)methoxy)3methoxyphenyl)ethylideneamino)5((4methylpiperidin1yl)methyl)triazole4carboxamide
CC1CCN(CC1)CC2=C(N=NN2C3=NON=C3N)C(=O)NN=C(C)C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)OC
COc1cc(ccc1OCc1ccc(cc1)Cl)C(=NNC(=O)c1nnn(c1CN1CCC(CC1)C)c1nonc1N)C
InChI=1SC28H32ClN9O4c117101237(131117)152225(323638(22)2726(30)34423527)28(39)333118(2)206923(24(1420)403)4116194721(29)8519h491417H10131516H213H3(H23034)(H3339)b3118+
MFCD03687619
ZINC000097966700
ZINC102458410

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Available files

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