Vitas-M small molecule compound
{[2-chloro-5-(trifluoromethyl)benzene-1,3-diyl]bis[imino(2-oxoethane-2,1-diyl)-1H-1,2,4-triazol-4-ium-1,4-diyl]}bis(nitroazanide)
Catalog ID
STK675943
SMILES O=C(Nc1cc(cc(c1Cl)NC(=O)Cn1nc[n+](c1)[N-][N+](=O)[O-])C(F)(F)F)Cn1nc[n+](c1)[N-][N+](=O)[O-]
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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 C15H12ClF3N12O6 MW 548.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12ClF3N12O6/c16-14-10(22-12(32)3-26-7-28(5-20-26)24-30(34)35)1-9(15(17,18)19)2-11(14)23-13(33)4-27-8-29(6-21-27)25-31(36)37/h1-2,5-8H,3-4H2,(H,22,32)(H,23,33)InChIKey
BPRVCHGEQPEFOF-UHFFFAOYSA-NSynonyms
((2chloro5(trifluoromethyl)benzene13diyl)bis(imino(2oxoethane21diyl)1H124triazol4ium14diyl))bis(nitroazanide)
(1(2(2CHLORO3((2(4NITROAZANIDYL124TRIAZOL4IUM1YL)ACETYL)AMINO)5(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)124TRIAZOL4IUM4YL)NITROAZANIDE
C1=C(C=C(C(=C1NC(=O)CN2C=(N+)(C=N2)(N)(N+)(=O)(O))Cl)NC(=O)CN3C=(N+)(C=N3)(N)(N+)(=O)(O))C(F)(F)F
InChI=1SC15H12ClF3N12O6c161410(2212(32)326728(52026)2430(34)35)19(15(1718)19)211(14)2313(33)427829(62127)2531(36)37h1258H34H2(H2232)(H2333)
MFCD01893154
N(2CHLORO3(2(4(NITROAMINO)(124TRIAZOLYL))ACETYLAMINO)5(TRIFLUOROMETHYL)PHENYL)2(4(NITROAMINO)(124TRIAZOLYL))ACETAMIDE
O=C(Nc1cc(cc(c1Cl)NC(=O)Cn1nc(n+)(c1)(N)(N+)(=O)(O))C(F)(F)F)Cn1nc(n+)(c1)(N)(N+)(=O)(O)
ZINC000033354096
Check stock
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Check stock on Vitas-MAvailable files
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