Vitas-M small molecule compound
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Catalog ID
STK556014
SMILES COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1C)c1cccc(c1)[N+](=O)[O-])Br
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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 C19H17BrN6O4S MW 505.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN6O4S/c1-25-18(12-4-3-5-15(9-12)26(28)29)23-24-19(25)31-11-17(27)22-21-10-13-8-14(20)6-7-16(13)30-2/h3-10H,11H2,1-2H3,(H,22,27)/b21-10+InChIKey
YHGCSDTXAWLZNH-UFFVCSGVSA-NSynonyms
348586-85-6(E)N(5bromo2methoxybenzylidene)2((4methyl5(3nitrophenyl)4H124triazol3yl)thio)acetohydrazide
348586856
CN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)Br)OC)C3=CC(=CC=C3)(N+)(=O)(O)
COc1ccc(cc1C=NNC(=O)CSc1nnc(n1C)c1cccc(c1)(N+)(=O)(O))Br
InChI=1SC19H17BrN6O4Sc12518(1243515(912)26(28)29)232419(25)311117(27)22211013814(20)6716(13)302h310H11H212H3(H2227)b2110+
MFCD02610888
N((E)(5bromo2methoxyphenyl)methylidene)2((4methyl5(3nitrophenyl)4H124triazol3yl)sulfanyl)acetohydrazide
N((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)2((4METHYL5(3NITROPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001863995
ZINC33345625
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