Vitas-M small molecule compound
3-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-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
STK679508
SMILES CCOC(=O)c1sc(nc1C)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 C14H15N7O5S MW 393.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N7O5S/c1-5-26-13(23)10-7(3)15-14(27-10)16-11(22)9-6(2)17-20-12(21(24)25)8(4)18-19(9)20/h5H2,1-4H3,(H-,15,16,17,18,22,23)InChIKey
UAYCPYUYYZWHRP-UHFFFAOYSA-NSynonyms
(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)((5ETHOXYCARBONYL4METHYL13THIAZOL2YL)AMINO)METHANOLATE
(Z)(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)((5ETHOXYCARBONYL4METHYL13THIAZOL2YL)AMINO)METHANOLATE
3((5(ethoxycarbonyl)4methyl13thiazol2yl)carbamoyl)26dimethyl7nitro(123)triazolo(21a)(123)triazol4ium1ide
CCOC(=O)C1=C(N=C(S1)NC(=C2C(=N(N+)3=C(C(=NN23)C)(N+)(=O)(O))C)(O))C
CCOC(=O)c1sc(nc1C)NC(=O)c1c(C)(n)n2(n+)1nc(c2(N+)(=O)(O))C
InChI=1SC14H15N7O5Sc152613(23)107(3)1514(2710)1611(22)96(2)172012(21(24)25)8(4)1819(9)20h5H214H3(H151617182223)
MFCD03763663
ZINC000012413776
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