Vitas-M small molecule compound
S-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl) 3,4-dihydroxybenzenecarbothioate
Catalog ID
STK758587
SMILES O=C(c1ccc(c(c1)O)O)SCc1nnc(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 C29H29N3O4S MW 515.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O4S/c33-25-16-13-22(17-26(25)34)29(35)37-19-28-31-30-27(32(28)23-9-5-2-6-10-23)18-36-24-14-11-21(12-15-24)20-7-3-1-4-8-20/h2,5-6,9-17,20,33-34H,1,3-4,7-8,18-19H2InChIKey
BYZSUJPPILSEFX-UHFFFAOYSA-NSynonyms
C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)CSC(=O)C5=CC(=C(C=C5)O)O
InChI=1SC29H29N3O4Sc3325161322(1726(25)34)29(35)371928313027(32(28)2395261023)183624141121(121524)207314820h256917203334H134781819H2
MFCD01460032
S((5((4CYCLOHEXYLPHENOXY)METHYL)4PHENYL124TRIAZOL3YL)METHYL)34DIHYDROXYBENZENECARBOTHIOATE
S((5((4cyclohexylphenoxy)methyl)4phenyl4H124triazol3yl)methyl)34dihydroxybenzenecarbothioate
ZINC000003666857
ZINC03666857
ZINC3666857
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