Vitas-M small molecule compound

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

Catalog ID
STL004991
SMILES COc1cc(ccc1OC)/C(=N/NC(=O)c1nnn(c1CSc1nncn1C)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 C19H21N11O4S MW 499.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N11O4S/c1-10(11-5-6-13(32-3)14(7-11)33-4)22-24-18(31)15-12(8-35-19-25-21-9-29(19)2)30(28-23-15)17-16(20)26-34-27-17/h5-7,9H,8H2,1-4H3,(H2,20,26)(H,24,31)/b22-10+
InChIKey
GXMWYHNBMRPTMM-LSHDLFTRSA-N
Synonyms
862116-96-9
(E)1(4amino125oxadiazol3yl)N(1(34dimethoxyphenyl)ethylidene)5(((4methyl4H124triazol3yl)thio)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((1E)1(34dimethoxyphenyl)ethylidene)5(((4methyl4H124triazol3yl)sulfanyl)methyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)1(34dimethoxyphenyl)ethylideneamino)5((4methyl124triazol3yl)sulfanylmethyl)triazole4carboxamide
862116969
CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NN=CN3C)C4=CC(=C(C=C4)OC)OC
COc1cc(ccc1OC)C(=NNC(=O)c1nnn(c1CSc1nncn1C)c1nonc1N)C
InChI=1SC19H21N11O4Sc110(115613(323)14(711)334)222418(31)1512(835192521929(19)2)30(282315)1716(20)26342717h579H8H214H3(H22026)(H2431)b2210+
MFCD05687122
ZINC000013805473
ZINC97494911

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Available files

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