Vitas-M small molecule compound
3-[3-({[5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Catalog ID
STL287592
SMILES O=C(Nc1nnc(s1)C)CCc1onc(n1)CSc1nnc([nH]1)c1ccccc1C
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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 C18H18N8O2S2 MW 442.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N8O2S2/c1-10-5-3-4-6-12(10)16-21-17(24-23-16)29-9-13-19-15(28-26-13)8-7-14(27)20-18-25-22-11(2)30-18/h3-6H,7-9H2,1-2H3,(H,20,25,27)(H,21,23,24)InChIKey
QSMGPHMEKUANHU-UHFFFAOYSA-NSynonyms
3(3(((5(2methylphenyl)4H124triazol3yl)sulfanyl)methyl)124oxadiazol5yl)N(5methyl134thiadiazol2yl)propanamide
3(3((5(2methylphenyl)1H124triazol3yl)sulfanylmethyl)124oxadiazol5yl)N(5methyl134thiadiazol2yl)propanamide
CC1=CC=CC=C1C2=NC(=NN2)SCC3=NOC(=N3)CCC(=O)NC4=NN=C(S4)C
InChI=1SC18H18N8O2S2c110534612(10)162117(242316)299131915(282613)8714(27)2018252211(2)3018h36H79H212H3(H202527)(H212324)
MFCD24847724
O=C(Nc1nnc(s1)C)CCc1onc(n1)CSc1nnc((nH)1)c1ccccc1C
ZINC000095481956
ZINC95481956
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