Vitas-M small molecule compound
ethyl 5-{[1-(4-acetylphenyl)-4-(ethoxycarbonyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL438361
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1ccc(cc1)C(=O)C
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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 C18H17N5O5S2 MW 447.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5S2/c1-4-27-16(25)13-15(29-18-14(20-22-30-18)17(26)28-5-2)23(21-19-13)12-8-6-11(7-9-12)10(3)24/h6-9H,4-5H2,1-3H3InChIKey
HOEPGIAMBBHKOW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)C(=O)C)SC3=C(N=NS3)C(=O)OCC
ethyl5((1(4acetylphenyl)4(ethoxycarbonyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5((1(4ACETYLPHENYL)4(ETHOXYCARBONYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(3(4ACETYLPHENYL)5ETHOXYCARBONYLTRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC18H17N5O5S2c142716(25)1315(291814(20223018)17(26)2852)23(211913)128611(7912)10(3)24h69H45H213H3
MFCD06242607
ZINC000013566874
ZINC13566874
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