Vitas-M small molecule compound
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(4-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)sulfanyl]ethanone
Catalog ID
STK210311
SMILES O=C(N1N=CCC1c1ccccc1)CSc1nc2CCCCCc2c(n1)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 C26H26N4OS MW 442.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4OS/c31-24(30-23(16-17-27-30)19-10-4-1-5-11-19)18-32-26-28-22-15-9-3-8-14-21(22)25(29-26)20-12-6-2-7-13-20/h1-2,4-7,10-13,17,23H,3,8-9,14-16,18H2InChIKey
PLHKDNRGYBFJJR-UHFFFAOYSA-NSynonyms
1(3phenyl34dihydropyrazol2yl)2((4phenyl6789tetrahydro5Hcyclohepta(d)pyrimidin2yl)sulfanyl)ethanone
1(5phenyl45dihydro1Hpyrazol1yl)2((4phenyl6789tetrahydro5Hcyclohepta(d)pyrimidin2yl)sulfanyl)ethanone
C1CCC2=C(N=C(N=C2CC1)SCC(=O)N3C(CC=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI=1SC26H26N4OSc3124(3023(16172730)19104151119)1832262822159381421(22)25(2926)20126271320h124710131723H389141618H2
MFCD06192726
ZINC000010035348
ZINC000010035354
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