Vitas-M small molecule compound
3-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Catalog ID
STK679641
SMILES CCOC(=O)Cc1nnc(s1)NC(=O)c1c(C)[n-]n2[n+]1nc(c2[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 C13H14N8O5S MW 394.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N8O5S/c1-4-26-9(22)5-8-15-16-13(27-8)14-11(23)10-6(2)17-20-12(21(24)25)7(3)18-19(10)20/h4-5H2,1-3H3,(H-,14,16,17,18,23)InChIKey
OOUTXOQSDNSCCK-UHFFFAOYSA-NSynonyms
(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)((5(2ETHOXY2OXOETHYL)134THIADIAZOL2YL)AMINO)METHANOLATE
(Z)(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)((5(2ETHOXY2OXOETHYL)134THIADIAZOL2YL)AMINO)METHANOLATE
3((5(2ethoxy2oxoethyl)134thiadiazol2yl)carbamoyl)26dimethyl7nitro(123)triazolo(21a)(123)triazol4ium1ide
CCOC(=O)CC1=NN=C(S1)NC(=C2C(=N(N+)3=C(C(=NN23)C)(N+)(=O)(O))C)(O)
CCOC(=O)Cc1nnc(s1)NC(=O)c1c(C)(n)n2(n+)1nc(c2(N+)(=O)(O))C
InChI=1SC13H14N8O5Sc14269(22)58151613(278)1411(23)106(2)172012(21(24)25)7(3)1819(10)20h45H213H3(H1416171823)
MFCD03764065
ZINC000012413495
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