Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-methylphenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733699
SMILES Cc1ccc(cc1)N/N=C(\C(=O)C)/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 C31H33N5O2S MW 539.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O2S/c1-22-13-17-26(18-14-22)32-34-30(23(2)37)39-31-35-33-29(36(31)27-11-7-4-8-12-27)21-38-28-19-15-25(16-20-28)24-9-5-3-6-10-24/h4,7-8,11-20,24,32H,3,5-6,9-10,21H2,1-2H3/b34-30+InChIKey
KLLNOYCZMUJFOQ-VBMGMRCRSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(4METHYLANILINO)2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl2oxoN(ptolyl)propanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(4methylphenyl)2oxopropanehydrazonothioate
CC1=CC=C(C=C1)NN=C(C(=O)C)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
Cc1ccc(cc1)NN=C(C(=O)C)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC31H33N5O2Sc122131726(181422)323430(23(2)37)3931353329(36(31)27117481227)213828191525(162028)2495361024h47811202432H35691021H212H3b3430+
MFCD02997354
ZINC000097951214
ZINC102659759
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