Vitas-M small molecule compound
N'-[(1E)-1-(4-bromophenyl)ethylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STL412471
SMILES COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C(/c1ccc(cc1)Br)\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 C27H26BrN5O4S MW 596.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5O4S/c1-17(18-10-12-20(28)13-11-18)29-30-24(34)16-38-27-32-31-26(33(27)21-8-6-5-7-9-21)19-14-22(35-2)25(37-4)23(15-19)36-3/h5-15H,16H2,1-4H3,(H,30,34)/b29-17+InChIKey
MGOASKFOCURTHV-STBIYBPSSA-NSynonyms
(E)N(1(4bromophenyl)ethylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)thio)acetohydrazide
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)Br
COc1cc(cc(c1OC)OC)c1nnc(n1c1ccccc1)SCC(=O)NN=C(c1ccc(cc1)Br)C
InChI=1SC27H26BrN5O4Sc117(18101220(28)131118)293024(34)163827323126(33(27)218657921)191422(352)25(374)23(1519)363h515H16H214H3(H3034)b2917+
MFCD06199256
N((1E)1(4bromophenyl)ethylidene)2((4phenyl5(345trimethoxyphenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)1(4bromophenyl)ethylideneamino)2((4phenyl5(345trimethoxyphenyl)124triazol3yl)sulfanyl)acetamide
ZINC000100318014
ZINC100318017
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