Vitas-M small molecule compound
ethyl ({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL079459
SMILES CCOC(=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)cccc2
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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 C20H18N4O2S3 MW 442.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S3/c1-2-26-18(25)13-27-19-23-22-17(24(19)14-8-4-3-5-9-14)12-28-20-21-15-10-6-7-11-16(15)29-20/h3-11H,2,12-13H2,1H3InChIKey
GKSPPEXECYJJCT-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3
ethyl((5((13benzothiazol2ylsulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetate
ETHYL2((5(13BENZOTHIAZOL2YLSULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
ETHYL2(5(BENZOTHIAZOL2YLTHIOMETHYL)4PHENYL124TRIAZOL3YLTHIO)ACETATE
InChI=1SC20H18N4O2S3c122618(25)132719232217(24(19)148435914)122820211510671116(15)2920h311H21213H21H3
MFCD02329932
ZINC000000710353
ZINC00710353
ZINC710353
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