Vitas-M small molecule compound

1-{[5-(3-hydroxypropyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-4-(morpholin-4-yl)naphthalen-2-ol

Catalog ID
STK665663
SMILES OCCCc1nnc(n1c1ccccc1)Sc1c(O)cc(c2c1cccc2)N1CCOCC1

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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 C25H26N4O3S MW 462.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S/c30-14-6-11-23-26-27-25(29(23)18-7-2-1-3-8-18)33-24-20-10-5-4-9-19(20)21(17-22(24)31)28-12-15-32-16-13-28/h1-5,7-10,17,30-31H,6,11-16H2
InChIKey
VLONWMPOXWRLFZ-UHFFFAOYSA-N
Synonyms

1((5(3hydroxypropyl)4phenyl124triazol3yl)sulfanyl)4morpholin4ylnaphthalen2ol
1((5(3hydroxypropyl)4phenyl4H124triazol3yl)sulfanyl)4(morpholin4yl)naphthalen2ol
C1COCCN1C2=CC(=C(C3=CC=CC=C32)SC4=NN=C(N4C5=CC=CC=C5)CCCO)O
InChI=1SC25H26N4O3Sc301461123262725(29(23)187213818)3324201054919(20)21(1722(24)31)28121532161328h15710173031H61116H2
MFCD09064829
ZINC000012377117
ZINC12377117

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.