Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Catalog ID
STL287598
SMILES O=C(Nc1ccc(c(c1)C)C)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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c1-14-8-9-17(12-15(14)2)23-19(29)10-11-20-24-18(28-30-20)13-31-22-25-21(26-27-22)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)(H,25,26,27)InChIKey
ZUNDEPKPJWXDTI-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=NO2)CSC3=NNC(=N3)C4=CC=CC=C4)C
InChI=1SC22H22N6O2Sc1148917(1215(14)2)2319(29)1011202418(283020)1331222521(262722)166435716h3912H101113H212H3(H2329)(H252627)
MFCD24847730
N(34dimethylphenyl)3(3(((5phenyl4H124triazol3yl)sulfanyl)methyl)124oxadiazol5yl)propanamide
N(34dimethylphenyl)3(3((5phenyl1H124triazol3yl)sulfanylmethyl)124oxadiazol5yl)propanamide
O=C(Nc1ccc(c(c1)C)C)CCc1onc(n1)CSc1nnc((nH)1)c1ccccc1
ZINC000033270985
ZINC33270985
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