Vitas-M small molecule compound
3-(3-{[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,6-dimethylphenyl)propanamide
Catalog ID
STL287600
SMILES O=C(Nc1c(C)cccc1C)CCc1onc(n1)CSc1nc2c([nH]1)ccc(c2)Cl
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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 C21H20ClN5O2S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O2S/c1-12-4-3-5-13(2)20(12)26-18(28)8-9-19-25-17(27-29-19)11-30-21-23-15-7-6-14(22)10-16(15)24-21/h3-7,10H,8-9,11H2,1-2H3,(H,23,24)(H,26,28)InChIKey
ALJDURKFURXRKA-UHFFFAOYSA-NSynonyms
3(3(((5chloro1Hbenzimidazol2yl)sulfanyl)methyl)124oxadiazol5yl)N(26dimethylphenyl)propanamide
3(3((6chloro1Hbenzimidazol2yl)sulfanylmethyl)124oxadiazol5yl)N(26dimethylphenyl)propanamide
CC1=C(C(=CC=C1)C)NC(=O)CCC2=NC(=NO2)CSC3=NC4=C(N3)C=C(C=C4)Cl
InChI=1SC21H20ClN5O2Sc11243513(2)20(12)2618(28)89192517(272919)11302123157614(22)1016(15)2421h3710H8911H212H3(H2324)(H2628)
MFCD24847731
O=C(Nc1c(C)cccc1C)CCc1onc(n1)CSc1nc2c((nH)1)ccc(c2)Cl
ZINC000033270996
ZINC33270996
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