Vitas-M small molecule compound
2,6-dimethyl-7-nitro-3-{[3-(trifluoromethyl)phenyl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Catalog ID
STK679559
SMILES Cc1[n-]n2[n+](c1C(=O)Nc1cccc(c1)C(F)(F)F)nc(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 C14H11F3N6O3 MW 368.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11F3N6O3/c1-7-11(21-20-8(2)13(23(25)26)22(21)19-7)12(24)18-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H-,18,19,20,24)InChIKey
AEMLPHTWNWADRW-UHFFFAOYSA-NSynonyms
(26DIMETHYL7NITRO(1H123TRIAZOLO(21A)123TRIAZOLIN3YL))N(3(TRIFLUOROMETHYL)PHENYL)CARBOXAMIDE
(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)(3(TRIFLUOROMETHYL)ANILINO)METHANOLATE
(Z)(26DIMETHYL7NITROTRIAZOLO(21A)TRIAZOL8IUM3YLIDENE)(3(TRIFLUOROMETHYL)ANILINO)METHANOLATE
26dimethyl7nitro3((3(trifluoromethyl)phenyl)carbamoyl)(123)triazolo(21a)(123)triazol4ium1ide
Cc1(n)n2(n+)(c1C(=O)Nc1cccc(c1)C(F)(F)F)nc(c2(N+)(=O)(O))C
CC1=N(N+)2=C(C(=NN2C1=C(NC3=CC=CC(=C3)C(F)(F)F)(O))C)(N+)(=O)(O)
InChI=1SC14H11F3N6O3c1711(21208(2)13(23(25)26)22(21)197)12(24)18105349(610)14(1516)17h36H12H3(H18192024)
MFCD03763867
ZINC000012372001
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