Vitas-M small molecule compound
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-methoxyphenyl)ethylidene]acetohydrazide
Catalog ID
STL362652
SMILES COc1ccc(cc1)/C(=N/NC(=O)CSc1nnc(n1c1ccccc1)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 C25H22BrN5O2S MW 536.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O2S/c1-17(18-10-14-22(33-2)15-11-18)27-28-23(32)16-34-25-30-29-24(19-8-12-20(26)13-9-19)31(25)21-6-4-3-5-7-21/h3-15H,16H2,1-2H3,(H,28,32)/b27-17+InChIKey
KLXBTFXSWWBVOP-WPWMEQJKSA-NSynonyms
(Z)2((5(4bromophenyl)4phenyl4H124triazol3yl)thio)N(1(4methoxyphenyl)ethylidene)acetohydrazide
2((5(4bromophenyl)4phenyl124triazol3yl)sulfanyl)N((E)1(4methoxyphenyl)ethylideneamino)acetamide
2((5(4bromophenyl)4phenyl4H124triazol3yl)sulfanyl)N((1E)1(4methoxyphenyl)ethylidene)acetohydrazide
CC(=NNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC
COc1ccc(cc1)C(=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br)C
InChI=1SC25H22BrN5O2Sc117(18101422(332)151118)272823(32)163425302924(1981220(26)13919)31(25)216435721h315H16H212H3(H2832)b2717+
MFCD28032685
ZINC000100340251
ZINC100340248
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