Vitas-M small molecule compound

5-[(4-cyclohexylphenoxy)methyl]-2-[(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK735675
SMILES COc1ccc2c(c1)CCCN2Cn1nc(n(c1=S)C)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 C27H34N4O2S MW 478.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O2S/c1-29-26(18-33-23-12-10-21(11-13-23)20-7-4-3-5-8-20)28-31(27(29)34)19-30-16-6-9-22-17-24(32-2)14-15-25(22)30/h10-15,17,20H,3-9,16,18-19H2,1-2H3
InChIKey
CWHQXJNZPVTLLS-UHFFFAOYSA-N
Synonyms

5((4CYCLOHEXYLPHENOXY)METHYL)2((6METHOXY34DIHYDRO1(2H)QUINOLINYL)METHYL)4METHYL24DIHYDRO3H124TRIAZOLE3THIONE
5((4CYCLOHEXYLPHENOXY)METHYL)2((6METHOXY34DIHYDRO2HQUINOLIN1YL)METHYL)4METHYL124TRIAZOLE3THIONE
5((4cyclohexylphenoxy)methyl)2((6methoxy34dihydroquinolin1(2H)yl)methyl)4methyl24dihydro3H124triazole3thione
CN1C(=NN(C1=S)CN2CCCC3=C2C=CC(=C3)OC)COC4=CC=C(C=C4)C5CCCCC5
InChI=1SC27H34N4O2Sc12926(183323121021(111323)207435820)2831(27(29)34)19301669221724(322)141525(22)30h10151720H39161819H212H3
MFCD01305145
ZINC000002189775
ZINC02189775
ZINC2189775

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Available files

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