Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(2E,3E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}-5-(propan-2-yl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL004288
SMILES C/C(=N\NC(=O)c1nnn(c1C(C)C)c1nonc1N)/C=C/c1ccc(cc1)N(C)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 C20H25N9O2 MW 423.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N9O2/c1-12(2)17-16(23-27-29(17)19-18(21)25-31-26-19)20(30)24-22-13(3)6-7-14-8-10-15(11-9-14)28(4)5/h6-12H,1-5H3,(H2,21,25)(H,24,30)/b7-6+,22-13+
InChIKey
QQHTZGPTXSLVEN-HJABZNHRSA-N
Synonyms
841206-01-7
(E)1(4amino125oxadiazol3yl)N((E)4(4(dimethylamino)phenyl)but3en2ylidene)5isopropyl1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((2E3E)4(4(dimethylamino)phenyl)but3en2ylidene)5(propan2yl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)((E)4(4(dimethylamino)phenyl)but3en2ylidene)amino)5propan2yltriazole4carboxamide
841206017
CC(=NNC(=O)c1nnn(c1C(C)C)c1nonc1N)C=Cc1ccc(cc1)N(C)C
CC(C)C1=C(N=NN1C2=NON=C2N)C(=O)NN=C(C)C=CC3=CC=C(C=C3)N(C)C
InChI=1SC20H25N9O2c112(2)1716(232729(17)1918(21)25312619)20(30)242213(3)671481015(11914)28(4)5h612H15H3(H22125)(H2430)b76+2213+
MFCD04011050
ZINC000009453748
ZINC34379539

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Available files

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