Vitas-M small molecule compound
3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1,2,4-oxadiazol-5-yl}-N-(4-methylphenyl)propanamide
Catalog ID
STL287442
SMILES O=C(Nc1ccc(cc1)C)CCc1onc(n1)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 C20H18N4O2S2 MW 410.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S2/c1-13-6-8-14(9-7-13)21-18(25)10-11-19-23-17(24-26-19)12-27-20-22-15-4-2-3-5-16(15)28-20/h2-9H,10-12H2,1H3,(H,21,25)InChIKey
PDLOAWQWNMMUCZ-UHFFFAOYSA-NSynonyms
3(3((13benzothiazol2ylsulfanyl)methyl)124oxadiazol5yl)N(4methylphenyl)propanamide
3(3(13benzothiazol2ylsulfanylmethyl)124oxadiazol5yl)N(4methylphenyl)propanamide
CC1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)CSC3=NC4=CC=CC=C4S3
InChI=1SC20H18N4O2S2c1136814(9713)2118(25)1011192317(242619)1227202215423516(15)2820h29H1012H21H3(H2125)
MFCD15078455
ZINC000021157515
ZINC21157515
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