Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(4-methoxyphenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733704
SMILES COc1ccc(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 C31H33N5O3S MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N5O3S/c1-22(37)30(34-32-25-15-19-27(38-2)20-16-25)40-31-35-33-29(36(31)26-11-7-4-8-12-26)21-39-28-17-13-24(14-18-28)23-9-5-3-6-10-23/h4,7-8,11-20,23,32H,3,5-6,9-10,21H2,1-2H3/b34-30+InChIKey
CACJWNAAWBGUDC-VBMGMRCRSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(4METHOXYANILINO)2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(4methoxyphenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(4methoxyphenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=C(C=C1)OC)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
COc1ccc(cc1)NN=C(C(=O)C)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC31H33N5O3Sc122(37)30(343225151927(382)201625)4031353329(36(31)26117481226)213928171324(141828)2395361023h47811202332H35691021H212H3b3430+
MFCD01907149
ZINC000097968621
ZINC102659771
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