Vitas-M small molecule compound
4-{[(E)-(2-nitrophenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK586706
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1ccccc1[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 C18H17N5O5S MW 415.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O5S/c1-26-14-8-12(9-15(27-2)16(14)28-3)17-20-21-18(29)22(17)19-10-11-6-4-5-7-13(11)23(24)25/h4-10H,1-3H3,(H,21,29)/b19-10+InChIKey
UXTKLNZPHUHWIA-VXLYETTFSA-NSynonyms
488136-74-94(((E)(2nitrophenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(2NITROPHENYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(2NITROPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
488136749
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=CC=C3(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccccc1(N+)(=O)(O)
InChI=1SC18H17N5O5Sc12614812(915(272)16(14)283)17202118(29)22(17)191011645713(11)23(24)25h410H13H3(H2129)b1910+
MFCD07198526
ZINC000009331134
ZINC33361294
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