Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N'-[(1E)-1-(naphthalen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL004654
SMILES O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C(/c1ccc2c(c1)cccc2)\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 C21H19N11O2S MW 489.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N11O2S/c1-12(14-8-7-13-5-3-4-6-15(13)9-14)24-26-20(33)17-16(10-35-21-27-23-11-31(21)2)32(30-25-17)19-18(22)28-34-29-19/h3-9,11H,10H2,1-2H3,(H2,22,28)(H,26,33)/b24-12+
InChIKey
UWDDJMNHALDTJQ-WYMPLXKRSA-N
Synonyms
861634-04-0
(E)1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)thio)methyl)N(1(naphthalen2yl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)N((1E)1(naphthalen2yl)ethylidene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5((4methyl124triazol3yl)sulfanylmethyl)N((E)1naphthalen2ylethylideneamino)triazole4carboxamide
861634040
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)C4=CC5=CC=CC=C5C=C4
InChI=1SC21H19N11O2Sc112(148713534615(13)914)242620(33)1716(10352127231131(21)2)32(302517)1918(22)28342919h3911H10H212H3(H22228)(H2633)b2412+
MFCD05685118
O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)NN=C(c1ccc2c(c1)cccc2)C
ZINC000009331606
ZINC33684078

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Available files

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