Vitas-M small molecule compound
4-chloro-5-{[5-(naphthalen-1-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridazin-3(2H)-one
Catalog ID
STK666089
SMILES Clc1c(cnn(c1=O)C12CC3CC(C2)CC(C1)C3)Sc1nnc(n1c1ccccc1)c1cccc2c1cccc2
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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 C32H28ClN5OS MW 566.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN5OS/c33-28-27(19-34-38(30(28)39)32-16-20-13-21(17-32)15-22(14-20)18-32)40-31-36-35-29(37(31)24-9-2-1-3-10-24)26-12-6-8-23-7-4-5-11-25(23)26/h1-12,19-22H,13-18H2InChIKey
OSODHTKSYUNROU-UHFFFAOYSA-NSynonyms
2(1ADAMANTYL)4CHLORO5((5NAPHTHALEN1YL4PHENYL124TRIAZOL3YL)SULFANYL)PYRIDAZIN3ONE
4chloro5((5(naphthalen1yl)4phenyl4H124triazol3yl)sulfanyl)2(tricyclo(3311~37~)dec1yl)pyridazin3(2H)one
C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)SC5=NN=C(N5C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87)Cl
InChI=1SC32H28ClN5OSc332827(193438(30(28)39)3216201321(1732)1522(1420)1832)4031363529(37(31)2492131024)261268237451125(23)26h1121922H1318H2
MFCD05857992
ZINC000098007321
ZINC98007321
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