Vitas-M small molecule compound
methyl 4-{4-hydroxy-3-(4-methoxyphenyl)-1-[4-(methylsulfanyl)benzyl]-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
Catalog ID
STK884963
SMILES COc1ccc(cc1)C1=C(O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc(cc1)SC
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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 C27H25NO5S MW 475.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5S/c1-32-21-12-10-18(11-13-21)23-24(19-6-8-20(9-7-19)27(31)33-2)28(26(30)25(23)29)16-17-4-14-22(34-3)15-5-17/h4-15,24,29H,16H2,1-3H3InChIKey
MPVRRWODGGIWHY-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)SC)O
InChI=1SC27H25NO5Sc13221121018(111321)2324(196820(9719)27(31)332)28(26(30)25(23)29)161741422(343)15517h4152429H16H213H3
methyl4(4hydroxy3(4methoxyphenyl)1((4methylsulfanylphenyl)methyl)5oxo2Hpyrrol2yl)benzoate
methyl4(4hydroxy3(4methoxyphenyl)1(4(methylsulfanyl)benzyl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD18171846
ZINC000040485648
ZINC000040485650
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