Vitas-M small molecule compound
ethyl 2-[3-(3-nitrophenyl)-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
STL019600
SMILES CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)[N+](=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 C28H25N3O7S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7S/c1-2-37-28(34)21-19-13-6-7-14-20(19)39-27(21)29-25(32)22-23(16-9-8-12-18(15-16)31(35)36)30(38-24(22)26(29)33)17-10-4-3-5-11-17/h3-5,8-12,15,22-24H,2,6-7,13-14H2,1H3InChIKey
RKULNISVQLWWTA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4C(N(OC4C3=O)C5=CC=CC=C5)C6=CC(=CC=C6)(N+)(=O)(O)
CCOC(=O)c1c(sc2c1CCCC2)N1C(=O)C2C(C1=O)C(N(O2)c1ccccc1)c1cccc(c1)(N+)(=O)(O)
ethyl2(3(3nitrophenyl)46dioxo2phenyl3a6adihydro3Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
ethyl2(3(3nitrophenyl)46dioxo2phenylhexahydro5Hpyrrolo(34d)(12)oxazol5yl)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H25N3O7Sc123728(34)211913671420(19)3927(21)2925(32)2223(16981218(1516)31(35)36)30(3824(22)26(29)33)17104351117h35812152224H2671314H21H3
MFCD02970750
ZINC000105906396
ZINC000238924250
Check stock
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Check stock on Vitas-MAvailable files
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