Vitas-M small molecule compound
5-(4-methoxyphenyl)-4-phenyl-2-[(4-phenylpiperidin-1-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK123743
SMILES COc1ccc(cc1)c1nn(c(=S)n1c1ccccc1)CN1CCC(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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c1-32-25-14-12-23(13-15-25)26-28-30(27(33)31(26)24-10-6-3-7-11-24)20-29-18-16-22(17-19-29)21-8-4-2-5-9-21/h2-15,22H,16-20H2,1H3InChIKey
LSUMDQZESRJMDK-UHFFFAOYSA-NSynonyms
5(4METHOXYPHENYL)4PHENYL2((4PHENYLPIPERIDIN1YL)METHYL)124TRIAZOLE3THIONE
5(4METHOXYPHENYL)4PHENYL2((4PHENYLPIPERIDIN1YL)METHYL)24DIHYDRO3H124TRIAZOLE3THIONE
COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCC(CC4)C5=CC=CC=C5
InChI=1SC27H28N4OSc13225141223(131525)262830(27(33)31(26)24106371124)2029181622(171929)218425921h21522H1620H21H3
MFCD01429210
ZINC000009805900
ZINC9805900
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