Vitas-M small molecule compound
ethyl 2-[3-(2,4-dichlorophenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL019603
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1ccc(cc1Cl)Cl
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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 C28H24Cl2N2O5S MW 571.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2N2O5S/c1-2-36-28(35)21-18-10-6-7-11-20(18)38-27(21)31-25(33)22-23(17-13-12-15(29)14-19(17)30)32(37-24(22)26(31)34)16-8-4-3-5-9-16/h3-5,8-9,12-14,22-24H,2,6-7,10-11H2,1H3InChIKey
BEHKNDPLVAUERG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=C(C=C(C=C6)Cl)Cl
ethyl2(3(24dichlorophenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(24dichlorophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H24Cl2N2O5Sc123628(35)211810671120(18)3827(21)3125(33)2223(17131215(29)1419(17)30)32(3724(22)26(31)34)168435916h358912142224H2671011H21H3
MFCD02970841
ZINC000102860626
ZINC000238881732
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