Vitas-M small molecule compound
5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl (1Z)-N-(2-chlorophenyl)-2-oxopropanehydrazonothioate
Catalog ID
STK570780
SMILES CC(=O)/C(=N/Nc1ccccc1Cl)/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 C30H30ClN5O2S MW 560.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClN5O2S/c1-21(37)29(34-32-27-15-9-8-14-26(27)31)39-30-35-33-28(36(30)24-12-6-3-7-13-24)20-38-25-18-16-23(17-19-25)22-10-4-2-5-11-22/h3,6-9,12-19,22,32H,2,4-5,10-11,20H2,1H3/b34-29-InChIKey
UADJNXRYAYIXTL-BNIPGBBVSA-NSynonyms
(5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)(1Z)N(2CHLOROANILINO)2OXOPROPANIMIDOTHIOATE
(Z)5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3ylN(2chlorophenyl)2oxopropanehydrazonothioate
5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl(1Z)N(2chlorophenyl)2oxopropanehydrazonothioate
CC(=O)C(=NNC1=CC=CC=C1Cl)SC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)C5CCCCC5
CC(=O)C(=NNc1ccccc1Cl)Sc1nnc(n1c1ccccc1)COc1ccc(cc1)C1CCCCC1
InChI=1SC30H30ClN5O2Sc121(37)29(34322715981426(27)31)3930353328(36(30)24126371324)203825181623(171925)22104251122h36912192232H245101120H21H3b3429
MFCD02988036
ZINC000001899172
ZINC102564149
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