Vitas-M small molecule compound

3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methoxy-5-methylphenyl)propanamide

Catalog ID
STL287603
SMILES COc1ccc(cc1NC(=O)CCc1onc(n1)CSc1nc2c([nH]1)ccc(c2)Cl)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 C21H20ClN5O3S MW 457.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3S/c1-12-3-6-17(29-2)16(9-12)23-19(28)7-8-20-26-18(27-30-20)11-31-21-24-14-5-4-13(22)10-15(14)25-21/h3-6,9-10H,7-8,11H2,1-2H3,(H,23,28)(H,24,25)
InChIKey
FUDPTWVFUIIMOZ-UHFFFAOYSA-N
Synonyms

3(3(((5chloro1Hbenzimidazol2yl)sulfanyl)methyl)124oxadiazol5yl)N(2methoxy5methylphenyl)propanamide
3(3((6chloro1Hbenzimidazol2yl)sulfanylmethyl)124oxadiazol5yl)N(2methoxy5methylphenyl)propanamide
CC1=CC(=C(C=C1)OC)NC(=O)CCC2=NC(=NO2)CSC3=NC4=C(N3)C=C(C=C4)Cl
COc1ccc(cc1NC(=O)CCc1onc(n1)CSc1nc2c((nH)1)ccc(c2)Cl)C
InChI=1SC21H20ClN5O3Sc1123617(292)16(912)2319(28)78202618(273020)11312124145413(22)1015(14)2521h36910H7811H212H3(H2328)(H2425)
MFCD24847734
ZINC000033271006
ZINC33271006

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Available files

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