Vitas-M small molecule compound
4-{[(E)-{3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307321
SMILES COc1ccc(cc1COc1ccc(cc1Cl)[N+](=O)[O-])/C=N/n1c(C)nnc1S
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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 C18H16ClN5O4S MW 433.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O4S/c1-11-21-22-18(29)23(11)20-9-12-3-5-16(27-2)13(7-12)10-28-17-6-4-14(24(25)26)8-15(17)19/h3-9H,10H2,1-2H3,(H,22,29)/b20-9+InChIKey
RFGWNDDOXGKNHD-AWQFTUOYSA-NSynonyms
828291-37-84(((E)(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(3((2chloro4nitrophenoxy)methyl)4methoxyphenyl)methylideneamino)3methyl1H124triazole5thione
828291378
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC)COC3=C(C=C(C=C3)(N+)(=O)(O))Cl
COc1ccc(cc1COc1ccc(cc1Cl)(N+)(=O)(O))C=Nn1c(C)nnc1S
InChI=1SC18H16ClN5O4Sc111212218(29)23(11)209123516(272)13(712)1028176414(24(25)26)815(17)19h39H10H212H3(H2229)b209+
MFCD04053752
ZINC000002793434
ZINC33523465
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