Vitas-M small molecule compound

2-[(6-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N,N-diethylacetamide

Catalog ID
STL352291
SMILES CCN(C(=O)CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2c([nH]1)cccc2)CC

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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 C22H23N5O2S3 MW 485.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O2S3/c1-3-27(4-2)20(29)13-31-22-26-17-10-9-14(11-18(17)32-22)23-19(28)12-30-21-24-15-7-5-6-8-16(15)25-21/h5-11H,3-4,12-13H2,1-2H3,(H,23,28)(H,24,25)
InChIKey
OAFUZHRHEKHXLZ-UHFFFAOYSA-N
Synonyms
487022-26-4
2((6(((1Hbenzimidazol2ylsulfanyl)acetyl)amino)13benzothiazol2yl)sulfanyl)NNdiethylacetamide
2((6(2((1Hbenzo(d)imidazol2yl)thio)acetamido)benzo(d)thiazol2yl)thio)NNdiethylacetamide
2(1HBENZIMIDAZOL2YLSULFANYL)N(2((2(DIETHYLAMINO)2OXOETHYL)SULFANYL)13BENZOTHIAZOL6YL)ACETAMIDE
2(1HBENZIMIDAZOL2YLSULFANYL)N(2(2(DIETHYLAMINO)2OXOETHYL)SULFANYL13BENZOTHIAZOL6YL)ACETAMIDE
487022264
CCN(C(=O)CSc1nc2c(s1)cc(cc2)NC(=O)CSc1nc2c((nH)1)cccc2)CC
CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4N3
InChI=1SC22H23N5O2S3c1327(42)20(29)133122261710914(1118(17)3222)2319(28)1230212415756816(15)2521h511H341213H212H3(H2328)(H2425)
MFCD02787032
ZINC000008425950
ZINC08425950
ZINC8425950

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Available files

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