Vitas-M small molecule compound
N-(2-chloro-6-methylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Catalog ID
STL287587
SMILES O=C(Nc1c(C)cccc1Cl)CCc1onc(n1)CSc1nnc([nH]1)c1ccccc1
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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 C21H19ClN6O2S MW 454.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN6O2S/c1-13-6-5-9-15(22)19(13)24-17(29)10-11-18-23-16(28-30-18)12-31-21-25-20(26-27-21)14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,24,29)(H,25,26,27)InChIKey
JTUMYZNGRYQRLT-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)Cl)NC(=O)CCC2=NC(=NO2)CSC3=NNC(=N3)C4=CC=CC=C4
InChI=1SC21H19ClN6O2Sc11365915(22)19(13)2417(29)1011182316(283018)1231212520(262721)147324814h29H1012H21H3(H2429)(H252627)
MFCD24847721
N(2chloro6methylphenyl)3(3(((5phenyl4H124triazol3yl)sulfanyl)methyl)124oxadiazol5yl)propanamide
N(2chloro6methylphenyl)3(3((5phenyl1H124triazol3yl)sulfanylmethyl)124oxadiazol5yl)propanamide
O=C(Nc1c(C)cccc1Cl)CCc1onc(n1)CSc1nnc((nH)1)c1ccccc1
ZINC000033270894
ZINC33270894
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