Vitas-M small molecule compound
6-chloro-2-(1H-1,2,4-triazol-1-yl)-2-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one
Catalog ID
STK777305
SMILES Clc1ccc2c(c1)NC(=O)C(O2)(n1cncn1)C(F)(F)F
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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 C11H6ClF3N4O2 MW 318.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H6ClF3N4O2/c12-6-1-2-8-7(3-6)18-9(20)10(21-8,11(13,14)15)19-5-16-4-17-19/h1-5H,(H,18,20)InChIKey
LTEXBDFZKWECOM-UHFFFAOYSA-NSynonyms
4HBENZO(14)OXAZIN3ONE6CHLORO2(124)TRIAZOL1YL2TRIFLUOROMETHYL
6CHLORO2(124TRIAZOL1YL)2(TRIFLUOROMETHYL)4H14BENZOXAZIN3ONE
6CHLORO2(124TRIAZOLYL)2(TRIFLUOROMETHYL)4HBENZO(E)14OXAZIN3ONE
6chloro2(1H124triazol1yl)2(trifluoromethyl)2H14benzoxazin3(4H)one
C1=CC2=C(C=C1Cl)NC(=O)C(O2)(C(F)(F)F)N3C=NC=N3
InChI=1SC11H6ClF3N4O2c1261287(36)189(20)10(21811(1314)15)1951641719h15H(H1820)
MFCD05260296
ZINC000004625402
ZINC000004693860
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