Vitas-M small molecule compound
(2E)-2-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-N'-nitrohydrazinecarboximidamide
Catalog ID
STK761336
SMILES COc1cc(/C=N/N/C(=N/[N+](=O)[O-])/N)ccc1Oc1ccc(cc1[N+](=O)[O-])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 C16H13F3N6O6 MW 442.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13F3N6O6/c1-30-14-6-9(8-21-22-15(20)23-25(28)29)2-4-13(14)31-12-5-3-10(16(17,18)19)7-11(12)24(26)27/h2-8H,1H3,(H3,20,22,23)/b21-8+InChIKey
NLERIWQKCJAJKE-ODCIPOBUSA-NSynonyms
(2E)2(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)Nnitrohydrazinecarboximidamide
2((E)(3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENEAMINO)1NITROGUANIDINE
COC1=C(C=CC(=C1)C=NN=C(N)N(N+)(=O)(O))OC2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
COc1cc(C=NNC(=N(N+)(=O)(O))N)ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC16H13F3N6O6c1301469(8212215(20)2325(28)29)2413(14)31125310(16(1718)19)711(12)24(26)27h28H1H3(H3202223)b218+
MFCD01066143
ZINC000006624970
ZINC33399341
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