Vitas-M small molecule compound

5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol

Catalog ID
STK307151
SMILES COc1ccc(cc1COc1ccccc1Cl)c1nnc(n1CCCN1CCOCC1)S

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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 C23H27ClN4O3S MW 475.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27ClN4O3S/c1-29-20-8-7-17(15-18(20)16-31-21-6-3-2-5-19(21)24)22-25-26-23(32)28(22)10-4-9-27-11-13-30-14-12-27/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,26,32)
InChIKey
RNFAPDCOJAHNNT-UHFFFAOYSA-N
Synonyms
828288-31-9
3(3((2CHLOROPHENOXY)METHYL)4METHOXYPHENYL)4(3MORPHOLIN4YLPROPYL)1H124TRIAZOLE5THIONE
5(3((2chlorophenoxy)methyl)4methoxyphenyl)4(3(morpholin4yl)propyl)4H124triazole3thiol
828288319
COC1=C(C=C(C=C1)C2=NNC(=S)N2CCCN3CCOCC3)COC4=CC=CC=C4Cl
InChI=1SC23H27ClN4O3Sc129208717(1518(20)163121632519(21)24)22252623(32)28(22)104927111330141227h235815H491416H21H3(H2632)
MFCD04047944
ZINC000020028625
ZINC20028625

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Available files

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