Vitas-M small molecule compound
6-(3-methyl-4-nitrophenyl)-3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL284749
SMILES CC(c1nnc2n1nc(s2)c1ccc(c(c1)C)[N+](=O)[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 C13H13N5O2S MW 303.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N5O2S/c1-7(2)11-14-15-13-17(11)16-12(21-13)9-4-5-10(18(19)20)8(3)6-9/h4-7H,1-3H3InChIKey
WIYCKEHUOHZZCS-UHFFFAOYSA-NSynonyms
6(3methyl4nitrophenyl)3(propan2yl)(124)triazolo(34b)(134)thiadiazole
6(3methyl4nitrophenyl)3propan2yl(124)triazolo(34b)(134)thiadiazole
CC(c1nnc2n1nc(s2)c1ccc(c(c1)C)(N+)(=O)(O))C
CC1=C(C=CC(=C1)C2=NN3C(=NN=C3S2)C(C)C)(N+)(=O)(O)
InChI=1SC13H13N5O2Sc17(2)1114151317(11)1612(2113)94510(18(19)20)8(3)69h47H13H3
MFCD24850129
ZINC000095481697
ZINC95481697
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