Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-2-oxo-N-phenylpropanehydrazonothioate
Catalog ID
STK733697
SMILES CC(=O)/C(=N\Nc1ccccc1)/Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
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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 C30H31N5O2S MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N5O2S/c1-22(36)29(33-31-25-13-7-3-8-14-25)38-30-34-32-28(35(30)26-15-9-4-10-16-26)21-37-27-19-17-24(18-20-27)23-11-5-2-6-12-23/h3-4,7-10,13-20,23,31H,2,5-6,11-12,21H2,1H3/b33-29+InChIKey
GWGWRSHGQIJLIY-XPXRSFDGSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)NANILINO2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl2oxoNphenylpropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)2oxoNphenylpropanehydrazonothioate
CC(=O)C(=NNC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
CC(=O)C(=NNc1ccccc1)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H31N5O2Sc122(36)29(333125137381425)3830343228(35(30)261594101626)213727191724(182027)23115261223h3471013202331H256111221H21H3b3329+
MFCD02997493
ZINC000013810303
ZINC102659749
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