Vitas-M small molecule compound

1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide

Catalog ID
STK548368
SMILES COc1ccc(cc1CSC1=NCCS1)/C=N/NC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N

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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 C23H28N10O3S2 MW 556.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N10O3S2/c1-35-18-6-5-15(11-16(18)14-38-23-25-7-10-37-23)12-26-28-22(34)19-17(13-32-8-3-2-4-9-32)33(31-27-19)21-20(24)29-36-30-21/h5-6,11-12H,2-4,7-10,13-14H2,1H3,(H2,24,29)(H,28,34)/b26-12+
InChIKey
DLEWBWBLLRTXDQ-RPPGKUMJSA-N
Synonyms

(E)1(4amino125oxadiazol3yl)N(3(((45dihydrothiazol2yl)thio)methyl)4methoxybenzylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3((45dihydro13thiazol2ylsulfanyl)methyl)4methoxyphenyl)methylidene)5(piperidin1ylmethyl)1H123triazole4carbohydrazide
1(4amino125oxadiazol3yl)N((E)(3(45dihydro13thiazol2ylsulfanylmethyl)4methoxyphenyl)methylideneamino)5(piperidin1ylmethyl)triazole4carboxamide
COC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN4CCCCC4)CSC5=NCCS5
COc1ccc(cc1CSC1=NCCS1)C=NNC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
InChI=1SC23H28N10O3S2c135186515(1116(18)143823257103723)12262822(34)1917(13328324932)33(312719)2120(24)29363021h561112H247101314H21H3(H22429)(H2834)b2612+
MFCD03297964
ZINC000097966658
ZINC102450569

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Available files

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