Vitas-M small molecule compound

2-(3-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}phenoxy)acetamide

Catalog ID
STK557747
SMILES NC(=O)COc1cccc(c1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)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 C18H18N10O4S2 MW 502.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N10O4S2/c19-13(29)8-31-11-3-1-2-10(6-11)7-22-24-17(30)14-12(9-34-18-21-4-5-33-18)28(27-23-14)16-15(20)25-32-26-16/h1-3,6-7H,4-5,8-9H2,(H2,19,29)(H2,20,25)(H,24,30)/b22-7+
InChIKey
UBURGNRBSVPHHC-QPJQQBGISA-N
Synonyms
577694-46-3
(E)2(3((2(1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbonyl)hydrazono)methyl)phenoxy)acetamide
1(4amino125oxadiazol3yl)N((E)(3(2amino2oxoethoxy)phenyl)methylideneamino)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carboxamide
2(3((E)(2((1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)phenoxy)acetamide
577694463
C1CSC(=N1)SCC2=C(N=NN2C3=NON=C3N)C(=O)NN=CC4=CC(=CC=C4)OCC(=O)N
InChI=1SC18H18N10O4S2c1913(29)8311131210(611)7222417(30)1412(9341821453318)28(272314)1615(20)25322616h1367H4589H2(H21929)(H22025)(H2430)b227+
MFCD03340162
NC(=O)COc1cccc(c1)C=NNC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
ZINC000009424904
ZINC33934903

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.