Vitas-M small molecule compound
ethyl 2-[2-(2-methylphenyl)-4,6-dioxo-3-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL020375
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1C)c1ccccc1
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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 C29H28N2O5S MW 516.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5S/c1-3-35-29(34)22-19-14-8-10-16-21(19)37-28(22)30-26(32)23-24(18-12-5-4-6-13-18)31(36-25(23)27(30)33)20-15-9-7-11-17(20)2/h4-7,9,11-13,15,23-25H,3,8,10,14,16H2,1-2H3InChIKey
QFYQOZHFIRBPAQ-UHFFFAOYSA-NSynonyms
1005086-20-31005086203
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5C)C6=CC=CC=C6
ethyl2(2(2methylphenyl)46dioxo3phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2(2methylphenyl)46dioxo3phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC29H28N2O5Sc133529(34)2219148101621(19)3728(22)3026(32)2324(18125461318)31(3625(23)27(30)33)2015971117(20)2h4791113152325H38101416H212H3
MFCD02971265
ZINC000102863182
ZINC000238923908
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