Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-[(phenylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STL004720
SMILES O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)N/N=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 C21H21N9O2S MW 463.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N9O2S/c1-29(2)15-10-8-14(9-11-15)12-23-25-21(31)18-17(13-33-16-6-4-3-5-7-16)30(28-24-18)20-19(22)26-32-27-20/h3-12H,13H2,1-2H3,(H2,22,26)(H,25,31)/b23-12+
InChIKey
USVADCZLEOMMIO-FSJBWODESA-N
Synonyms
577764-63-7
(E)1(4amino125oxadiazol3yl)N(4(dimethylamino)benzylidene)5((phenylthio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4(dimethylamino)phenyl)methylidene)5((phenylsulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(4(dimethylamino)phenyl)methylideneamino)5(phenylsulfanylmethyl)triazole4carboxamide
1(4AMINO125OXADIAZOL3YL)N((E)(4DIMETHYLAMINOPHENYL)METHYLIDENEAMINO)5(PHENYLSULFANYLMETHYL)TRIAZOLE4CARBOXAMIDE
577764637
CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4
InChI=1SC21H21N9O2Sc129(2)1510814(91115)12232521(31)1817(1333166435716)30(282418)2019(22)26322720h312H13H212H3(H22226)(H2531)b2312+
MFCD04018956
O=C(c1nnn(c1CSc1ccccc1)c1nonc1N)NN=Cc1ccc(cc1)N(C)C
ZINC000009009701
ZINC97475371

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Available files

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