Vitas-M small molecule compound
methyl 2-[({[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethoxybenzoate
Catalog ID
STK690173
SMILES COC(=O)c1cc(OC)c(cc1NC(=O)CSc1nnc(n1CC)c1nonc1N)OC
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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 C18H21N7O6S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N7O6S/c1-5-25-16(14-15(19)24-31-23-14)21-22-18(25)32-8-13(26)20-10-7-12(29-3)11(28-2)6-9(10)17(27)30-4/h6-7H,5,8H2,1-4H3,(H2,19,24)(H,20,26)InChIKey
ROIGNVNPWLYAHT-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C3=NON=C3N
InChI=1SC18H21N7O6Sc152516(1415(19)24312314)212218(25)32813(26)2010712(293)11(282)69(10)17(27)304h67H58H214H3(H21924)(H2026)
methyl2((((5(4amino125oxadiazol3yl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)45dimethoxybenzoate
methyl2((2((5(4amino125oxadiazol3yl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)45dimethoxybenzoate
MFCD09063285
ZINC000012413679
ZINC12413679
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