Vitas-M small molecule compound
3-(3-methyl-1-benzofuran-2-yl)-6-(5-nitrofuran-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL406599
SMILES [O-][N+](=O)c1ccc(o1)c1nn2c(s1)nnc2c1oc2c(c1C)cccc2
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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 C16H9N5O4S MW 367.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9N5O4S/c1-8-9-4-2-3-5-10(9)25-13(8)14-17-18-16-20(14)19-15(26-16)11-6-7-12(24-11)21(22)23/h2-7H,1H3InChIKey
MMTREXUSAIZRIT-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(o1)c1nn2c(s1)nnc2c1oc2c(c1C)cccc2
3(3METHYL1BENZOFURAN2YL)6(5NITRO2FURYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(3methyl1benzofuran2yl)6(5nitrofuran2yl)(124)triazolo(34b)(134)thiadiazole
CC1=C(OC2=CC=CC=C12)C3=NN=C4N3N=C(S4)C5=CC=C(O5)(N+)(=O)(O)
InChI=1SC16H9N5O4Sc189423510(9)2513(8)1417181620(14)1915(2616)116712(2411)21(22)23h27H1H3
MFCD28988049
ZINC000096194399
ZINC96194399
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