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'-[(E)-naphthalen-1-ylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL346796
SMILES O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)N/N=C/c1cccc2c1cccc2

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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 C20H17N11O2S MW 475.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N11O2S/c1-30-11-23-26-20(30)34-10-15-16(24-29-31(15)18-17(21)27-33-28-18)19(32)25-22-9-13-7-4-6-12-5-2-3-8-14(12)13/h2-9,11H,10H2,1H3,(H2,21,27)(H,25,32)/b22-9+
InChIKey
YZPYMYORKIIKRQ-LSFURLLWSA-N
Synonyms
848994-15-0
(E)1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)thio)methyl)N(naphthalen1ylmethylene)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)5(((4methyl4H124triazol3yl)sulfanyl)methyl)N((E)naphthalen1ylmethylidene)1H123triazole4carbohydrazide
1(4AMINO125OXADIAZOL3YL)5((4METHYL124TRIAZOL3YL)SULFANYLMETHYL)N((E)NAPHTHALEN1YLMETHYLIDENEAMINO)TRIAZOLE4CARBOXAMIDE
848994150
CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC=CC5=CC=CC=C54
InChI=1SC20H17N11O2Sc13011232620(30)34101516(242931(15)1817(21)27332818)19(32)252291374612523814(12)13h2911H10H21H3(H22127)(H2532)b229+
MFCD05679269
O=C(c1nnn(c1CSc1nncn1C)c1nonc1N)NN=Cc1cccc2c1cccc2
ZINC000002447284
ZINC33372688

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Available files

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