Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK838431
SMILES N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cc(Br)c(c(c1)OC)O
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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 C20H17BrN2O3S MW 445.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O3S/c1-26-17-8-13(7-16(21)19(17)25)14-9-18(24)23-20(15(14)10-22)27-11-12-5-3-2-4-6-12/h2-8,14,25H,9,11H2,1H3,(H,23,24)InChIKey
GRRIWGFTPWBCRR-UHFFFAOYSA-NSynonyms
375359-57-22(benzylsulfanyl)4(3bromo4hydroxy5methoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
2(benzylthio)4(3bromo4hydroxy5methoxyphenyl)6oxo1456tetrahydropyridine3carbonitrile
375359572
4(3BROMO4HYDROXY5METHOXYPHENYL)6OXO2(PHENYLMETHYLTHIO)145TRIHYDROPYRIDINE3CARBONITRILE
6BENZYLSULFANYL4(3BROMO4HYDROXY5METHOXYPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)Br)O
InChI=1SC20H17BrN2O3Sc12617813(716(21)19(17)25)14918(24)2320(15(14)1022)2711125324612h281425H911H21H3(H2324)
MFCD02106939
ZINC000009089313
ZINC000009089314
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