Vitas-M small molecule compound
5-benzyl-3-(3-ethoxy-2-hydroxyphenyl)-1-[2-(methylsulfanyl)ethyl]-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Catalog ID
STK677649
SMILES CSCCC1(NC(C2C1C(=O)N(C2=O)Cc1ccccc1)c1cccc(c1O)OCC)C(=O)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 C25H28N2O6S MW 484.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O6S/c1-3-33-17-11-7-10-16(21(17)28)20-18-19(25(26-20,24(31)32)12-13-34-2)23(30)27(22(18)29)14-15-8-5-4-6-9-15/h4-11,18-20,26,28H,3,12-14H2,1-2H3,(H,31,32)InChIKey
ZDMUFUSVYQUKEI-UHFFFAOYSA-NSynonyms
5BENZYL1(3ETHOXY2HYDROXYPHENYL)3(2METHYLSULFANYLETHYL)46DIOXO123A6ATETRAHYDROPYRROLO(34C)PYRROLE3CARBOXYLICACID
5benzyl3(3ethoxy2hydroxyphenyl)1(2(methylsulfanyl)ethyl)46dioxooctahydropyrrolo(34c)pyrrole1carboxylicacid
CCOC1=CC=CC(=C1O)C2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2)(CCSC)C(=O)O
InChI=1SC25H28N2O6Sc1333171171016(21(17)28)201819(25(262024(31)32)1213342)23(30)27(22(18)29)14158546915h41118202628H31214H212H3(H3132)
MFCD02934114
ZINC000008873408
ZINC000245237405
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