Vitas-M small molecule compound
4-{[(E)-(3-nitrophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK568611
SMILES CC(Oc1cccc(c1)c1n[nH]c(=S)n1/N=C/c1cccc(c1)[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 C18H17N5O3S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O3S/c1-12(2)26-16-8-4-6-14(10-16)17-20-21-18(27)22(17)19-11-13-5-3-7-15(9-13)23(24)25/h3-12H,1-2H3,(H,21,27)/b19-11+InChIKey
SBHGHNHQBGNJBL-YBFXNURJSA-NSynonyms
579446-90-54(((E)(3nitrophenyl)methylidene)amino)5(3(propan2yloxy)phenyl)24dihydro3H124triazole3thione
4((1E)2(3NITROPHENYL)1AZAVINYL)5(3(METHYLETHOXY)PHENYL)124TRIAZOLE3THIOL
4((E)(3NITROPHENYL)METHYLIDENEAMINO)3(3PROPAN2YLOXYPHENYL)1H124TRIAZOLE5THIONE
579446905
CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)(N+)(=O)(O)
CC(Oc1cccc(c1)c1n(nH)c(=S)n1N=Cc1cccc(c1)(N+)(=O)(O))C
InChI=1SC18H17N5O3Sc112(2)261684614(1016)17202118(27)22(17)19111353715(913)23(24)25h312H12H3(H2127)b1911+
MFCD05736655
ZINC000002399549
ZINC33335066
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