Vitas-M small molecule compound
2-[(E)-{[3-(difluoromethyl)-5-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4H-1,2,4-triazol-4-yl]imino}methyl]phenol
Catalog ID
STL398502
SMILES FC(c1nnc(n1/N=C/c1ccccc1O)SCn1nc(c(c1C)[N+](=O)[O-])C)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 C16H15F2N7O3S MW 423.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15F2N7O3S/c1-9-13(25(27)28)10(2)23(22-9)8-29-16-21-20-15(14(17)18)24(16)19-7-11-5-3-4-6-12(11)26/h3-7,14,26H,8H2,1-2H3/b19-7+InChIKey
JTZSYMQVOAGIEQ-FBCYGCLPSA-NSynonyms
1005643-08-21005643082
2((E)((3(difluoromethyl)5(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazol4yl)imino)methyl)phenol
FC(c1nnc(n1N=Cc1ccccc1O)SCn1nc(c(c1C)(N+)(=O)(O))C)F
MFCD05667578
ZINC000002733233
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