Vitas-M small molecule compound
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-1-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)ethanone
Catalog ID
STK061550
SMILES Clc1ccc(cc1)SCc1cc(O)nc(n1)SCC(=O)N1c2ccccc2CCc2c1cccc2
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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 C27H22ClN3O2S2 MW 520.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22ClN3O2S2/c28-20-11-13-22(14-12-20)34-16-21-15-25(32)30-27(29-21)35-17-26(33)31-23-7-3-1-5-18(23)9-10-19-6-2-4-8-24(19)31/h1-8,11-15H,9-10,16-17H2,(H,29,30,32)InChIKey
KSJBTVLLXPIOAA-UHFFFAOYSA-NSynonyms
2((4(((4chlorophenyl)sulfanyl)methyl)6hydroxypyrimidin2yl)sulfanyl)1(1011dihydro5Hdibenzo(bf)azepin5yl)ethanone
2((4(((4chlorophenyl)thio)methyl)6hydroxypyrimidin2yl)thio)1(1011dihydro5Hdibenzo(bf)azepin5yl)ethanone
6((4CHLOROPHENYL)SULFANYLMETHYL)2(2(56DIHYDROBENZO(B)(1)BENZAZEPIN11YL)2OXOETHYL)SULFANYL1HPYRIMIDIN4ONE
C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)CSC4=NC(=O)C=C(N4)CSC5=CC=C(C=C5)Cl
Clc1ccc(cc1)SCc1cc(O)nc(n1)SCC(=O)N1c2ccccc2CCc2c1cccc2
InChI=1SC27H22ClN3O2S2c2820111322(141220)3416211525(32)3027(2921)351726(33)3123731518(23)91019624824(19)31h181115H9101617H2(H293032)
MFCD02127899
STK061550
ZINC000008717055
ZINC08717055
ZINC8717055
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