Vitas-M small molecule compound
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
Catalog ID
STK057625
SMILES Oc1nc(SCC(=O)N2c3ccccc3C(CC2(C)C)(C)c2ccccc2)nc(c1)CSc1ccc(cc1)Cl
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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 C31H30ClN3O2S2 MW 576.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN3O2S2/c1-30(2)20-31(3,21-9-5-4-6-10-21)25-11-7-8-12-26(25)35(30)28(37)19-39-29-33-23(17-27(36)34-29)18-38-24-15-13-22(32)14-16-24/h4-17H,18-20H2,1-3H3,(H,33,34,36)InChIKey
JZEDEROKZGTJQZ-UHFFFAOYSA-NSynonyms
2((4(((4CHLOROPHENYL)SULFANYL)METHYL)6HYDROXYPYRIMIDIN2YL)SULFANYL)1(224TRIMETHYL4PHENYL34DIHYDROQUINOLIN1(2H)YL)ETHANONE
2((4(((4chlorophenyl)thio)methyl)6hydroxypyrimidin2yl)thio)1(224trimethyl4phenyl34dihydroquinolin1(2H)yl)ethanone
6((4CHLOROPHENYL)SULFANYLMETHYL)2(2OXO2(224TRIMETHYL4PHENYL3HQUINOLIN1YL)ETHYL)SULFANYL1HPYRIMIDIN4ONE
CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)(C)C5=CC=CC=C5)C
InChI=1SC31H30ClN3O2S2c130(2)2031(32195461021)2511781226(25)35(30)28(37)1939293323(1727(36)3429)183824151322(32)141624h417H1820H213H3(H333436)
MFCD02127893
Oc1nc(SCC(=O)N2c3ccccc3C(CC2(C)C)(C)c2ccccc2)nc(c1)CSc1ccc(cc1)Cl
STK057625
ZINC000001875611
ZINC000001875612
Check stock
See real-time availability and sample size for STK057625 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.