Vitas-M small molecule compound
methyl 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
STL020374
SMILES COC(=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 C28H26N2O5S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O5S/c1-16-10-6-8-14-19(16)30-23(17-11-4-3-5-12-17)22-24(35-30)26(32)29(25(22)31)27-21(28(33)34-2)18-13-7-9-15-20(18)36-27/h3-6,8,10-12,14,22-24H,7,9,13,15H2,1-2H3InChIKey
SZKOLGDUOUMZTP-UHFFFAOYSA-NSynonyms
1005056-42-71005056427
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C(=O)OC)C6=CC=CC=C6
InChI=1SC28H26N2O5Sc11610681419(16)3023(17114351217)2224(3530)26(32)29(25(22)31)2721(28(33)342)1813791520(18)3627h3681012142224H791315H212H3
methyl2(2(2methylphenyl)46dioxo3phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
methyl2(2(2methylphenyl)46dioxo3phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
MFCD02971264
ZINC000008741712
ZINC000229969179
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