Vitas-M small molecule compound
ethyl {[5-({[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
Catalog ID
STK807668
SMILES CCOC(=O)CSc1nnc(s1)NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)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 C20H26N4O5S3 MW 498.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5S3/c1-3-29-17(25)13-30-20-23-22-19(31-20)21-18(26)15-9-8-14(2)16(12-15)32(27,28)24-10-6-4-5-7-11-24/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,21,22,26)InChIKey
VSMZUSHSKOSEKI-UHFFFAOYSA-NSynonyms
CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3
ethyl((5(((3(azepan1ylsulfonyl)4methylphenyl)carbonyl)amino)134thiadiazol2yl)sulfanyl)acetate
ETHYL2((5((3(AZEPAN1YLSULFONYL)4METHYLBENZOYL)AMINO)134THIADIAZOL2YL)SULFANYL)ACETATE
ETHYL2(5((3(AZAPERHYDROEPINYLSULFONYL)4METHYLPHENYL)CARBONYLAMINO)134THIADIAZOL2YLTHIO)ACETATE
InChI=1SC20H26N4O5S3c132917(25)133020232219(3120)2118(26)159814(2)16(1215)32(2728)241064571124h8912H37101113H212H3(H212226)
MFCD05719027
ZINC000012292437
ZINC12292437
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