Vitas-M small molecule compound
4-{[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK577936
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=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 C20H19N5O5S MW 441.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O5S/c1-28-16-11-14(12-17(29-2)18(16)30-3)19-22-23-20(31)24(19)21-10-6-8-13-7-4-5-9-15(13)25(26)27/h4-12H,1-3H3,(H,23,31)/b8-6+,21-10+InChIKey
NYQZJFZXVVICMT-BPZAUWNOSA-NSynonyms
489421-90-14(((1E2E)3(2nitrophenyl)prop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E3E)4(2NITROPHENYL)1AZABUTA13DIENYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)((E)3(2NITROPHENYL)PROP2ENYLIDENE)AMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
489421901
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3(N+)(=O)(O)
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC=Cc1ccccc1(N+)(=O)(O)
InChI=1SC20H19N5O5Sc128161114(1217(292)18(16)303)19222320(31)24(19)21106813745915(13)25(26)27h412H13H3(H2331)b86+2110+
MFCD07211221
ZINC000017016429
ZINC33689963
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