Vitas-M small molecule compound
diethyl 2-chlorobis[1,2,3]triazolo[1,5-a:5',1'-d][3,1,5]benzothiadiazepine-8,10-dicarboxylate
Catalog ID
STL485016
SMILES CCOC(=O)c1nnn2c1sc1c(nnn1c1c2cc(Cl)cc1)C(=O)OCC
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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 C16H13ClN6O4S MW 420.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClN6O4S/c1-3-26-15(24)11-13-22(20-18-11)9-6-5-8(17)7-10(9)23-14(28-13)12(19-21-23)16(25)27-4-2/h5-7H,3-4H2,1-2H3InChIKey
MEXHOEXDYJTCBM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2N(C3=C(C=C(C=C3)Cl)N4C(=C(N=N4)C(=O)OCC)S2)N=N1
DIETHYL2CHLOROBIS(123)TRIAZOLO(15A51D)(315)BENZOTHIADIAZEPINE810DICARBOXYLATE
InChI=1SC16H13ClN6O4Sc132615(24)111322(201811)9658(17)710(9)2314(2813)12(192123)16(25)2742h57H34H212H3
MFCD07755334
ZINC000001404445
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