Vitas-M small molecule compound
2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
Catalog ID
STK039284
SMILES Oc1nc(SCC(=O)N2c3ccccc3C(CC2(C)C)(C)c2ccccc2)nc(c1)CSc1ccc(cc1)C
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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 C32H33N3O2S2 MW 555.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O2S2/c1-22-14-16-25(17-15-22)38-19-24-18-28(36)34-30(33-24)39-20-29(37)35-27-13-9-8-12-26(27)32(4,21-31(35,2)3)23-10-6-5-7-11-23/h5-18H,19-21H2,1-4H3,(H,33,34,36)InChIKey
FMLVTWXWTNPIEZ-UHFFFAOYSA-NSynonyms
2((4HYDROXY6(((4METHYLPHENYL)SULFANYL)METHYL)PYRIMIDIN2YL)SULFANYL)1(224TRIMETHYL4PHENYL34DIHYDROQUINOLIN1(2H)YL)ETHANONE
2((4hydroxy6((ptolylthio)methyl)pyrimidin2yl)thio)1(224trimethyl4phenyl34dihydroquinolin1(2H)yl)ethanone
6((4METHYLPHENYL)SULFANYLMETHYL)2(2OXO2(224TRIMETHYL4PHENYL3HQUINOLIN1YL)ETHYL)SULFANYL1HPYRIMIDIN4ONE
CC1=CC=C(C=C1)SCC2=CC(=O)N=C(N2)SCC(=O)N3C4=CC=CC=C4C(CC3(C)C)(C)C5=CC=CC=C5
InChI=1SC32H33N3O2S2c122141625(171522)3819241828(36)3430(3324)392029(37)352713981226(27)32(42131(352)3)23106571123h518H1921H214H3(H333436)
MFCD02127894
Oc1nc(SCC(=O)N2c3ccccc3C(CC2(C)C)(C)c2ccccc2)nc(c1)CSc1ccc(cc1)C
STK039284
ZINC000001875008
ZINC000001875009
Check stock
See real-time availability and sample size for STK039284 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.