Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK733696
SMILES Clc1ccc(c(c1)Cl)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 C30H29Cl2N5O2S MW 594.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29Cl2N5O2S/c1-20(38)29(35-33-27-17-14-23(31)18-26(27)32)40-30-36-34-28(37(30)24-10-6-3-7-11-24)19-39-25-15-12-22(13-16-25)21-8-4-2-5-9-21/h3,6-7,10-18,21,33H,2,4-5,8-9,19H2,1H3/b35-29+InChIKey
DOXNMYTWLOLSLM-OZMGXUMRSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1E)N(24DICHLOROANILINO)2OXOPROPANIMIDOTHIOATE
(E)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(24dichlorophenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1E)N(24dichlorophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=C(C=C(C=C1)Cl)Cl)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
Clc1ccc(c(c1)Cl)NN=C(C(=O)C)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H29Cl2N5O2Sc120(38)29(353327171423(31)1826(27)32)4030363428(37(30)24106371124)193925151222(131625)218425921h36710182133H2458919H21H3b3529+
MFCD02996691
ZINC000001821634
ZINC01821634
ZINC102659748
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