Vitas-M small molecule compound
3-benzyl-6-[1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL022696
SMILES CCOc1ccccc1n1nnc(c1C)c1sc2n(n1)c(nn2)Cc1ccccc1
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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 C21H19N7OS MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N7OS/c1-3-29-17-12-8-7-11-16(17)27-14(2)19(23-26-27)20-25-28-18(22-24-21(28)30-20)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3InChIKey
LRYMTMJXZPCOAD-UHFFFAOYSA-NSynonyms
890602-61-62ETHOXY1(5METHYL4(3BENZYL(124TRIAZOLO(34B)134THIADIAZOLIN6YL))(123TRIAZOLYL))BENZENE
3benzyl6(1(2ethoxyphenyl)5methyl1H123triazol4yl)(124)triazolo(34b)(134)thiadiazole
3BENZYL6(1(2ETHOXYPHENYL)5METHYLTRIAZOL4YL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
890602616
CCOC1=CC=CC=C1N2C(=C(N=N2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5)C
InChI=1SC21H19N7OSc13291712871116(17)2714(2)19(232627)20252818(222421(28)3020)131595461015h412H313H212H3
MFCD07802220
ZINC000005032533
ZINC05032533
ZINC5032533
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